Vitas-M small molecule compound
3-(5-{(1E)-3-[(4-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)-4-chlorobenzoic acid
Catalog ID
STK183168
SMILES N#C/C(=C\c1ccc(o1)c1cc(ccc1Cl)C(=O)O)/C(=O)Nc1ccc(cc1)Br
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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 C21H12BrClN2O4 MW 471.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrClN2O4/c22-14-2-4-15(5-3-14)25-20(26)13(11-24)9-16-6-8-19(29-16)17-10-12(21(27)28)1-7-18(17)23/h1-10H,(H,25,26)(H,27,28)/b13-9+InChIKey
JXPUGPRWDZGERN-UKTHLTGXSA-NSynonyms
3(5((1E)3((4BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)FURAN2YL)4CHLOROBENZOICACID
3(5((E)3(4bromoanilino)2cyano3oxoprop1enyl)furan2yl)4chlorobenzoicacid
C1=CC(=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C#N)Br
InChI=1SC21H12BrClN2O4c22142415(5314)2520(26)13(1124)9166819(2916)171012(21(27)28)1718(17)23h110H(H2526)(H2728)b139+
MFCD04521685
N#CC(=Cc1ccc(o1)c1cc(ccc1Cl)C(=O)O)C(=O)Nc1ccc(cc1)Br
ZINC000009259717
ZINC9259717
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