Vitas-M small molecule compound
3-{[(2E)-2-cyano-3-(4-methoxy-3-{[(4-methoxyphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK522693
SMILES COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)/C=C(/C(=O)Nc1cccc(c1)C(=O)O)\C#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 C26H20N2O7 MW 472.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O7/c1-33-21-9-7-17(8-10-21)26(32)35-23-13-16(6-11-22(23)34-2)12-19(15-27)24(29)28-20-5-3-4-18(14-20)25(30)31/h3-14H,1-2H3,(H,28,29)(H,30,31)/b19-12+InChIKey
GIADFGAISOZQMP-XDHOZWIPSA-NSynonyms
3(((2E)2cyano3(4methoxy3(((4methoxyphenyl)carbonyl)oxy)phenyl)prop2enoyl)amino)benzoicacid
3(((E)2CYANO3(4METHOXY3(4METHOXYBENZOYL)OXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC
COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)C=C(C(=O)Nc1cccc(c1)C(=O)O)C#N
InChI=1SC26H20N2O7c133219717(81021)26(32)35231316(61122(23)342)1219(1527)24(29)282053418(1420)25(30)31h314H12H3(H2829)(H3031)b1912+
MFCD03155003
ZINC000001438753
ZINC1438753
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