Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi,16E)-16-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]androstan-17-one

Catalog ID
STK694343
SMILES COc1cc(/C=C/2\CC3[C@](C2=O)(C)CCC2C3CC[C@@H]3[C@]2(C)CCCC3)cc2c1OCO2

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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 C28H36O4 MW 436.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36O4/c1-27-10-5-4-6-19(27)7-8-20-21(27)9-11-28(2)22(20)15-18(26(28)29)12-17-13-23(30-3)25-24(14-17)31-16-32-25/h12-14,19-22H,4-11,15-16H2,1-3H3/b18-12+/t19-,20?,21?,22?,27+,28+/m1/s1
InChIKey
FBJLPYMCBZFUML-XXXGSOROSA-N
Synonyms

(5alpha8xi9xi14xi16E)16((7methoxy13benzodioxol5yl)methylidene)androstan17one
(5R10S13S16E)16((7methoxy13benzodioxol5yl)methylidene)1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
CC12CCCCC1CCC3C2CCC4(C3CC(=CC5=CC6=C(C(=C5)OC)OCO6)C4=O)C
COc1cc(C=C2CC3(C@)(C2=O)(C)CCC2C3CC(C@@H)3(C@)2(C)CCCC3)cc2c1OCO2
InChI=1SC28H36O4c1271054619(27)782021(27)91128(2)22(20)1518(26(28)29)12171323(303)2524(1417)31163225h12141922H4111516H213H3b1812+t1920?21?22?27+28+m1s1
ZINC000035324150
ZINC000035324158

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Available files

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