Vitas-M small molecule compound
(2E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-methyl-4-oxobut-2-enoic acid
Catalog ID
STK428989
SMILES N#Cc1c(NC(=O)/C=C(/C(=O)O)\C)sc2c1CCC2
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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 C13H12N2O3S MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O3S/c1-7(13(17)18)5-11(16)15-12-9(6-14)8-3-2-4-10(8)19-12/h5H,2-4H2,1H3,(H,15,16)(H,17,18)/b7-5+InChIKey
PEHLDUQERGMADR-FNORWQNLSA-NSynonyms
(2E)3(N(3CYANO(456TRIHYDROCYCLOPENTA(12D)THIOPHEN2YL))CARBAMOYL)2METHYLPROP2ENOICACID
(2E)4((3cyano56dihydro4Hcyclopenta(b)thiophen2yl)amino)2methyl4oxobut2enoicacid
(E)4((3CYANO56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)AMINO)2METHYL4OXOBUT2ENOICACID
CC(=CC(=O)NC1=C(C2=C(S1)CCC2)C#N)C(=O)O
InChI=1SC13H12N2O3Sc17(13(17)18)511(16)15129(614)832410(8)1912h5H24H21H3(H1516)(H1718)b75+
MFCD03465243
N#Cc1c(NC(=O)C=C(C(=O)O)C)sc2c1CCC2
ZINC000005827746
ZINC5827746
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