Vitas-M small molecule compound
3-({4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzoic acid
Catalog ID
STK362031
SMILES CCOC(=O)/C(=C/c1ccc(cc1)OCc1cccc(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 C20H17NO5 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5/c1-2-25-20(24)17(12-21)10-14-6-8-18(9-7-14)26-13-15-4-3-5-16(11-15)19(22)23/h3-11H,2,13H2,1H3,(H,22,23)/b17-10+InChIKey
CUJHRPAPDIBIJQ-LICLKQGHSA-NSynonyms
356093-04-43((4((1E)2CYANO2(ETHOXYCARBONYL)VINYL)PHENOXY)METHYL)BENZOICACID
3((4((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
3((4((E)2CYANO3ETHOXY3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
356093044
CCOC(=O)C(=CC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O)C#N
CCOC(=O)C(=Cc1ccc(cc1)OCc1cccc(c1)C(=O)O)C#N
InChI=1SC20H17NO5c122520(24)17(1221)10146818(9714)26131543516(1115)19(22)23h311H213H21H3(H2223)b1710+
MFCD02603584
ZINC000004524310
ZINC4524310
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