Vitas-M small molecule compound
(4Z)-4-{4-ethoxy-1,3-dimethyl-8-[(3-methylphenyl)amino]-6H-cyclohepta[c]furan-6-ylidene}-2-methoxycyclohexa-2,5-dien-1-one
Catalog ID
STL514062
SMILES CCOC1=C/C(=C\2/C=CC(=O)C(=C2)OC)/C=C(c2c1c(C)oc2C)Nc1cccc(c1)C
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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 C27H27NO4 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4/c1-6-31-25-15-20(19-10-11-23(29)24(14-19)30-5)13-22(26-17(3)32-18(4)27(25)26)28-21-9-7-8-16(2)12-21/h7-15,28H,6H2,1-5H3/b20-19-InChIKey
VHTYZDDJVHKENV-VXPUYCOJSA-NSynonyms
(4Z)4(4ethoxy13dimethyl8((3methylphenyl)amino)6Hcyclohepta(c)furan6ylidene)2methoxycyclohexa25dien1one
InChI=1SC27H27NO4c1631251520(19101123(29)24(1419)305)1322(2617(3)3218(4)27(25)26)282197816(2)1221h71528H6H215H3b2019
MFCD03810315
ZINC000009065361
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