Vitas-M small molecule compound
4-chloro-3-(5-{(1E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK185159
SMILES N#C/C(=C\c1ccc(o1)c1cc(ccc1Cl)C(=O)O)/C(=O)Nc1ccc(cc1)OC
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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 C22H15ClN2O5 MW 422.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O5/c1-29-16-5-3-15(4-6-16)25-21(26)14(12-24)10-17-7-9-20(30-17)18-11-13(22(27)28)2-8-19(18)23/h2-11H,1H3,(H,25,26)(H,27,28)/b14-10+InChIKey
CTWMCPWPHISBSN-GXDHUFHOSA-NSynonyms
357968-77-5357968775
4CHLORO3(5((1E)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
4CHLORO3(5((E)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
COC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C#N
InChI=1SC22H15ClN2O5c129165315(4616)2521(26)14(1224)10177920(3017)181113(22(27)28)2819(18)23h211H1H3(H2526)(H2728)b1410+
MFCD02611949
N#CC(=Cc1ccc(o1)c1cc(ccc1Cl)C(=O)O)C(=O)Nc1ccc(cc1)OC
ZINC000009311560
ZINC9311560
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