Vitas-M small molecule compound
methyl (4-{(1E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate
Catalog ID
STK180929
SMILES CCOc1cc(ccc1OCC(=O)OC)/C=C(/C(=O)Nc1cccc(c1)OC)\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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-4-29-20-11-15(8-9-19(20)30-14-21(25)28-3)10-16(13-23)22(26)24-17-6-5-7-18(12-17)27-2/h5-12H,4,14H2,1-3H3,(H,24,26)/b16-10+InChIKey
IMYUQQUSHOWJEZ-MHWRWJLKSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)OC)OCC(=O)OC
CCOc1cc(ccc1OCC(=O)OC)C=C(C(=O)Nc1cccc(c1)OC)C#N
InChI=1SC22H22N2O6c1429201115(8919(20)301421(25)283)1016(1323)22(26)241765718(1217)272h512H414H213H3(H2426)b1610+
METHYL(4((1E)2CYANO3((3METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)2ETHOXYPHENOXY)ACETATE
METHYL2(4((E)2CYANO3(3METHOXYANILINO)3OXOPROP1ENYL)2ETHOXYPHENOXY)ACETATE
MFCD03181823
ZINC000001095577
ZINC01095577
ZINC1095577
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