Vitas-M small molecule compound
methyl (2Z)-2-[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL173657
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)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 C32H25F3N4O4S2 MW 650.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25F3N4O4S2/c1-17-12-25(32(33,34)35)38-28(22(17)15-36)44-16-21-13-19(10-11-23(21)42-3)14-24-29(40)39-27(20-8-6-5-7-9-20)26(30(41)43-4)18(2)37-31(39)45-24/h5-14,27H,16H2,1-4H3/b24-14-InChIKey
OJUGQFDYCMQVNT-OYKKKHCWSA-NSynonyms
445244-89-3445244893
CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CC=C5)OC)C(F)(F)F
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(F)(F)F)OC)s2
InChI=1SC32H25F3N4O4S2c1171225(32(3334)35)3828(22(17)1536)4416211319(101123(21)423)142429(40)3927(208657920)26(30(41)434)18(2)3731(39)4524h51427H16H214H3b2414
METHYL(2Z)2((3((3CYANO4METHYL6(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(3(((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)4methoxybenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(3(((3CYANO4METHYL6(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)METHYL)4METHOXYBENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02243406
ZINC000008450871
ZINC000008450872
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