Vitas-M small molecule compound
(4Z)-2-ethoxy-4-{4-ethoxy-8-[(4-ethoxyphenyl)amino]-1,3-dimethyl-6H-cyclohepta[c]furan-6-ylidene}cyclohexa-2,5-dien-1-one
Catalog ID
STK620191
SMILES CCOc1ccc(cc1)NC1=C/C(=C/2\C=CC(=O)C(=C2)OCC)/C=C(c2c1c(C)oc2C)OCC
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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 C29H31NO5 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO5/c1-6-32-23-12-10-22(11-13-23)30-24-15-21(20-9-14-25(31)26(16-20)33-7-2)17-27(34-8-3)29-19(5)35-18(4)28(24)29/h9-17,30H,6-8H2,1-5H3/b21-20-InChIKey
QRXHKSWPVFQYHD-MRCUWXFGSA-NSynonyms
(4Z)2ethoxy4(4ethoxy8((4ethoxyphenyl)amino)13dimethyl6Hcyclohepta(c)furan6ylidene)cyclohexa25dien1one
(4Z)2ETHOXY4(4ETHOXY8(4ETHOXYANILINO)13DIMETHYLCYCLOHEPTA(C)FURAN6YLIDENE)CYCLOHEXA25DIEN1ONE
CCOC1=CC=C(C=C1)NC2=CC(=C3C=CC(=O)C(=C3)OCC)C=C(C4=C(OC(=C24)C)C)OCC
CCOc1ccc(cc1)NC1=CC(=C2C=CC(=O)C(=C2)OCC)C=C(c2c1c(C)oc2C)OCC
InChI=1SC29H31NO5c163223121022(111323)30241521(2091425(31)26(1620)3372)1727(3483)2919(5)3518(4)28(24)29h91730H68H215H3b2120
MFCD03801766
ZINC000008838309
ZINC08838309
ZINC8838309
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