Vitas-M small molecule compound
(2E)-4-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK428987
SMILES N#Cc1c(NC(=O)/C=C/C(=O)O)sc(c1c1ccc(cc1)C(C)C)C
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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 C19H18N2O3S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S/c1-11(2)13-4-6-14(7-5-13)18-12(3)25-19(15(18)10-20)21-16(22)8-9-17(23)24/h4-9,11H,1-3H3,(H,21,22)(H,23,24)/b9-8+InChIKey
CCTYKOMIXWSOIA-CMDGGOBGSA-NSynonyms
(2E)3(N(3CYANO5METHYL4(4(METHYLETHYL)PHENYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((3cyano5methyl4(4(propan2yl)phenyl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((3CYANO5METHYL4(4PROPAN2YLPHENYL)THIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
CC1=C(C(=C(S1)NC(=O)C=CC(=O)O)C#N)C2=CC=C(C=C2)C(C)C
InChI=1SC19H18N2O3Sc111(2)134614(7513)1812(3)2519(15(18)1020)2116(22)8917(23)24h4911H13H3(H2122)(H2324)b98+
MFCD02853284
N#Cc1c(NC(=O)C=CC(=O)O)sc(c1c1ccc(cc1)C(C)C)C
ZINC000002789244
ZINC2789244
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