Vitas-M small molecule compound
methyl (2Z)-2-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-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
STL173674
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(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 C32H26F2N4O4S2 MW 632.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26F2N4O4S2/c1-17-12-23(28(33)34)37-29(22(17)15-35)43-16-21-13-19(10-11-24(21)41-3)14-25-30(39)38-27(20-8-6-5-7-9-20)26(31(40)42-4)18(2)36-32(38)44-25/h5-14,27-28H,16H2,1-4H3/b25-14-InChIKey
GKLKWQAQBYCWCJ-QFEZKATASA-NSynonyms
445035-79-0445035790
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
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(F)F)OC)s2
InChI=1SC32H26F2N4O4S2c1171223(28(33)34)3729(22(17)1535)4316211319(101124(21)413)142530(39)3827(208657920)26(31(40)424)18(2)3632(38)4425h5142728H16H214H3b2514
METHYL(2Z)2((3((3CYANO6(DIFLUOROMETHYL)4METHYLPYRIDIN2YL)SULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(3(((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)methyl)4methoxybenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(3(((3CYANO6(DIFLUOROMETHYL)4METHYL2PYRIDINYL)SULFANYL)METHYL)4METHOXYBENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02243187
ZINC000008450807
ZINC000008450808
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