Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK025497
SMILES N#C/C(=C\c1sccc1C)/C(=O)Nc1ccccc1C(=O)O
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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 C16H12N2O3S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3S/c1-10-6-7-22-14(10)8-11(9-17)15(19)18-13-5-3-2-4-12(13)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b11-8+InChIKey
VYFTXLWDJCHZGR-DHZHZOJOSA-NSynonyms
2(((2E)2CYANO3(3METHYLTHIOPHEN2YL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(3METHYLTHIOPHEN2YL)PROP2ENOYL)AMINO)BENZOICACID
CC1=C(SC=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O
InChI=1SC16H12N2O3Sc110672214(10)811(917)15(19)1813532412(13)16(20)21h28H1H3(H1819)(H2021)b118+
MFCD02611581
N#CC(=Cc1sccc1C)C(=O)Nc1ccccc1C(=O)O
STK025497
ZINC000002777384
ZINC2777384
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