Vitas-M small molecule compound
4-{2-[(1Z)-3-(carbamoylamino)-2-cyano-3-oxoprop-1-en-1-yl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK141006
SMILES N#C/C(=C/c1cccn1c1ccc(cc1)C(=O)O)/C(=O)NC(=O)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 C16H12N4O4 MW 324.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O4/c17-9-11(14(21)19-16(18)24)8-13-2-1-7-20(13)12-5-3-10(4-6-12)15(22)23/h1-8H,(H,22,23)(H3,18,19,21,24)/b11-8-InChIKey
AXZWYBZWMBXYCP-FLIBITNWSA-NSynonyms
4(2((1Z)3(CARBAMOYLAMINO)2CYANO3OXOPROP1EN1YL)1HPYRROL1YL)BENZOICACID
4(2((Z)3(CARBAMOYLAMINO)2CYANO3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
C1=CN(C(=C1)C=C(C#N)C(=O)NC(=O)N)C2=CC=C(C=C2)C(=O)O
InChI=1SC16H12N4O4c17911(14(21)1916(18)24)81321720(13)125310(4612)15(22)23h18H(H2223)(H318192124)b118
MFCD04353573
N#CC(=Cc1cccn1c1ccc(cc1)C(=O)O)C(=O)NC(=O)N
ZINC000004682289
ZINC4682289
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