Vitas-M small molecule compound
(2E)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK430149
SMILES N#Cc1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCC2
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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 C15H16N2O3S MW 304.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S/c16-9-11-10-5-3-1-2-4-6-12(10)21-15(11)17-13(18)7-8-14(19)20/h7-8H,1-6H2,(H,17,18)(H,19,20)/b8-7+InChIKey
QVCOOENEXPULTC-BQYQJAHWSA-NSynonyms
(2E)4((3cyano456789hexahydrocycloocta(b)thiophen2yl)amino)4oxobut2enoicacid
(E)4((3cyano456789hexahydrocycloocta(b)thiophen2yl)amino)4oxobut2enoicacid
C1CCCC2=C(CC1)C(=C(S2)NC(=O)C=CC(=O)O)C#N
InChI=1SC15H16N2O3Sc169111053124612(10)2115(11)1713(18)7814(19)20h78H16H2(H1718)(H1920)b87+
MFCD01339827
N#Cc1c(NC(=O)C=CC(=O)O)sc2c1CCCCCC2
ZINC000012363314
ZINC12363314
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