Vitas-M small molecule compound
(3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-2-phenyl-5,6,7,8-tetrahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
Catalog ID
STL525618
SMILES O=C1/C(=C/c2ccccc2)/CCC21CC1=C(OC2c2ccccc2)C(CCC1)C1=CCCCC1
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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 C32H34O2 MW 450.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34O2/c33-30-26(21-23-11-4-1-5-12-23)19-20-32(30)22-27-17-10-18-28(24-13-6-2-7-14-24)29(27)34-31(32)25-15-8-3-9-16-25/h1,3-5,8-9,11-13,15-16,21,28,31H,2,6-7,10,14,17-20,22H2/b26-21+InChIKey
CEWFKTJMXFUPQH-YYADALCUSA-NSynonyms
114646-96-7(3E)3benzylidene8(cyclohex1en1yl)2phenyl5678tetrahydro2H4Hspiro(chromene31cyclopentan)2one
(5~(E))5benzylidene8(cyclohexen1yl)2phenylspiro(245678hexahydrochromene32cyclopentane)1one
(E)3benzylidene8(cyclohex1en1yl)2phenyl245678hexahydrospiro(chromene31cyclopentan)2one
114646967
5834218
InChI=1SC32H34O2c333026(2123114151223)192032(30)222717101828(24136271424)29(27)3431(32)25158391625h1358911131516212831H2671014172022H2b2621+
MFCD01544381
O=C1C(=Cc2ccccc2)CCC21CC1=C(OC2c2ccccc2)C(CCC1)C1=CCCCC1
ZINC000008740016
ZINC000105363840
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