Vitas-M small molecule compound
methyl (2Z)-2-[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxybenzylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL173687
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(F)(F)F)OC)/s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C34H30F3N5O4S2 MW 693.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30F3N5O4S2/c1-18-13-27(34(35,36)37)40-30(24(18)16-38)47-17-22-14-20(7-12-25(22)45-5)15-26-31(43)42-29(21-8-10-23(11-9-21)41(3)4)28(32(44)46-6)19(2)39-33(42)48-26/h7-15,29H,17H2,1-6H3/b26-15-InChIKey
CBUDZRZIGMEWPU-YSMPRRRNSA-NSynonyms
445245-90-9445245909
ARBOXYLATE
CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=C(C=C5)N(C)C)OC)C(F)(F)F
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(F)(F)F)OC)s2
InChI=1SC34H30F3N5O4S2c1181327(34(3536)37)4030(24(18)1638)4717221420(71225(22)455)152631(43)4229(2181023(11921)41(3)4)28(32(44)466)19(2)3933(42)4826h71529H17H216H3b2615
methyl(2Z)2((3((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanylmethyl)4methoxyphenyl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2((3((3CYANO4METHYL6(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(3(((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)4methoxybenzylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6c
METHYL2(3(((3CYANO4METHYL6(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)METHYL)4METHOXYBENZYLIDENE)5(4(DIMETHYLAMINO)PHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOX
MFCD02243265
ZINC000008450887
ZINC000008450888
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