Vitas-M small molecule compound

(3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one

Catalog ID
STL525242
SMILES O=C1/C(=C/c2ccccc2)/CCC21CC1CCCC(C1(OC2c1ccccc1)O)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 C32H36O3 MW 468.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36O3/c33-29-26(21-23-11-4-1-5-12-23)19-20-31(29)22-27-17-10-18-28(24-13-6-2-7-14-24)32(27,34)35-30(31)25-15-8-3-9-16-25/h1,3-5,8-9,11-13,15-16,21,27-28,30,34H,2,6-7,10,14,17-20,22H2/b26-21+
InChIKey
XZZPIAIYKCQMDS-YYADALCUSA-N
Synonyms
114646-95-6
(3E)3benzylidene8(cyclohex1en1yl)8ahydroxy2phenylhexahydro2H4Hspiro(chromene31cyclopentan)2one
(5~(E))5benzylidene8(cyclohexen1yl)8~(a)hydroxy2phenylspiro(44~(a)5678hexahydro2~(H)chromene32cyclopentane)1one
(E)3benzylidene8(cyclohex1en1yl)8ahydroxy2phenyloctahydrospiro(chromene31cyclopentan)2one
114646956
6373726
InChI=1SC32H36O3c332926(2123114151223)192031(29)222717101828(24136271424)32(2734)3530(31)25158391625h13589111315162127283034H2671014172022H2b2621+
MFCD01547446
O=C1C(=Cc2ccccc2)CCC21CC1CCCC(C1(OC2c1ccccc1)O)C1=CCCCC1
ZINC000012657143
ZINC000012657152

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Available files

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