Vitas-M small molecule compound
(3'E)-3'-benzylidene-8a-hydroxy-4-(4-methoxyphenyl)-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
Catalog ID
STL525402
SMILES COc1ccc(cc1)C1C2CCCCC2(O)OC(C21CC/C(=C\c1ccccc1)/C2=O)c1ccccc1
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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 C33H34O4 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34O4/c1-36-27-17-15-24(16-18-27)29-28-14-8-9-20-33(28,35)37-31(25-12-6-3-7-13-25)32(29)21-19-26(30(32)34)22-23-10-4-2-5-11-23/h2-7,10-13,15-18,22,28-29,31,35H,8-9,14,19-21H2,1H3/b26-22+InChIKey
RKBDOAXHCTZDTQ-XTCLZLMSSA-NSynonyms
1217884-18-8(3E)3benzylidene8ahydroxy4(4methoxyphenyl)2phenylhexahydro2H4Hspiro(chromene31cyclopentan)2one
(5~(E))5benzylidene8~(a)hydroxy4(4methoxyphenyl)2phenylspiro(44~(a)5678hexahydro2~(H)chromene32cyclopentane)1one
(E)3benzylidene8ahydroxy4(4methoxyphenyl)2phenyloctahydrospiro(chromene31cyclopentan)2one
1217884188
5858771
COc1ccc(cc1)C1C2CCCCC2(O)OC(C21CCC(=Cc1ccccc1)C2=O)c1ccccc1
InChI=1SC33H34O4c13627171524(161827)292814892033(2835)3731(25126371325)32(29)211926(30(32)34)2223104251123h27101315182228293135H89141921H21H3b2622+
MFCD01547829
ZINC000033670552
ZINC000252694895
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