Vitas-M small molecule compound
methyl (2Z)-[5-amino-7-(2-chlorophenyl)-6-cyano-8-(methylcarbamoyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene]ethanoate
Catalog ID
STL485348
SMILES CNC(=O)C1=c2s/c(=C\C(=O)OC)/c(=O)n2C(=C(C1c1ccccc1Cl)C#N)N
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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 C19H15ClN4O4S MW 430.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN4O4S/c1-23-17(26)15-14(9-5-3-4-6-11(9)20)10(8-21)16(22)24-18(27)12(29-19(15)24)7-13(25)28-2/h3-7,14H,22H2,1-2H3,(H,23,26)/b12-7-InChIKey
GLSULVMWECMEQP-GHXNOFRVSA-NSynonyms
CNC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3Cl)C#N)N)C(=O)C(=CC(=O)OC)S2
CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(=C(C1c1ccccc1Cl)C#N)N
InChI=1SC19H15ClN4O4Sc12317(26)1514(9534611(9)20)10(821)16(22)2418(27)12(2919(15)24)713(25)282h3714H22H212H3(H2326)b127
methyl(2Z)(5amino7(2chlorophenyl)6cyano8(methylcarbamoyl)3oxo7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO7(2CHLOROPHENYL)6CYANO8(METHYLCARBAMOYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD07755301
ZINC000003769968
ZINC000003769970
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