Vitas-M small molecule compound
(4Z)-2-ethoxy-4-{4-ethoxy-1,3-dimethyl-8-[(4-methylphenyl)amino]-6H-cyclohepta[c]furan-6-ylidene}cyclohexa-2,5-dien-1-one
Catalog ID
STK622531
SMILES CCOC1=C/C(=C/2\C=C(OCC)c3c(C(=C2)Nc2ccc(cc2)C)c(oc3C)C)/C=CC1=O
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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 C28H29NO4 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO4/c1-6-31-25-15-20(10-13-24(25)30)21-14-23(29-22-11-8-17(3)9-12-22)27-18(4)33-19(5)28(27)26(16-21)32-7-2/h8-16,29H,6-7H2,1-5H3/b21-20-InChIKey
NNOCUTKVNUYYES-MRCUWXFGSA-NSynonyms
(4Z)2ethoxy4(4ethoxy13dimethyl8((4methylphenyl)amino)6Hcyclohepta(c)furan6ylidene)cyclohexa25dien1one
(4Z)2ETHOXY4(4ETHOXY13DIMETHYL8(4METHYLANILINO)CYCLOHEPTA(C)FURAN6YLIDENE)CYCLOHEXA25DIEN1ONE
CCOC1=CC(=C2C=C(C3=C(OC(=C3C(=C2)OCC)C)C)NC4=CC=C(C=C4)C)C=CC1=O
CCOC1=CC(=C2C=C(OCC)c3c(C(=C2)Nc2ccc(cc2)C)c(oc3C)C)C=CC1=O
InChI=1SC28H29NO4c1631251520(101324(25)30)211423(292211817(3)91222)2718(4)3319(5)28(27)26(1621)3272h81629H67H215H3b2120
MFCD03794933
ZINC000008818238
ZINC08818238
ZINC8818238
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