Vitas-M small molecule compound

(16E)-16-(4-methoxybenzylidene)estra-1(10),2,4-triene-3,17-diyl diacetate

Catalog ID
STL174186
SMILES COc1ccc(cc1)/C=C/1\CC2C(C1OC(=O)C)(C)CCC1C2CCc2c1ccc(c2)OC(=O)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 C30H34O5 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34O5/c1-18(31)34-24-10-12-25-21(16-24)7-11-27-26(25)13-14-30(3)28(27)17-22(29(30)35-19(2)32)15-20-5-8-23(33-4)9-6-20/h5-6,8-10,12,15-16,26-29H,7,11,13-14,17H2,1-4H3/b22-15+
InChIKey
XTWNDBCQIVBUMG-PXLXIMEGSA-N
Synonyms

((16E)3acetyloxy16((4methoxyphenyl)methylidene)13methyl7891112141517octahydro6Hcyclopenta(a)phenanthren17yl)acetate
(16E)16(4methoxybenzylidene)estra1(10)24triene317diyldiacetate
CC(=O)OC1C(=CC2=CC=C(C=C2)OC)CC3C1(CCC4C3CCC5=C4C=CC(=C5)OC(=O)C)C
COc1ccc(cc1)C=C1CC2C(C1OC(=O)C)(C)CCC1C2CCc2c1ccc(c2)OC(=O)C
InChI=1SC30H34O5c118(31)342410122521(1624)7112726(25)131430(3)28(27)1722(29(30)3519(2)32)15205823(334)9620h568101215162629H711131417H214H3b2215+
MFCD08554059
ZINC000036612207
ZINC000245253996

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Available files

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