Vitas-M small molecule compound

(2R,4aR,6aS)-6b-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7,10,10a,11,11a,11b,12-hexadecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate

Catalog ID
STL525561
SMILES CC(=O)O[C@@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2(CC=CC3)C(=O)C)C)C1)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 C27H38O3 MW 410.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38O3/c1-17(28)27-12-6-5-7-20(27)16-24-22-9-8-19-15-21(30-18(2)29)10-13-25(19,3)23(22)11-14-26(24,27)4/h5-6,8,20-24H,7,9-16H2,1-4H3/t20?,21-,22?,23?,24?,25+,26+,27?/m1/s1
InChIKey
XGZQDBRFMPJPBO-YSNDJPEBSA-N
Synonyms

((2~(R)4~(a)~(R)6~(a)~(S))6~(b)acetyl4~(a)6~(a)dimethyl12344~(b)5671010~(a)1111~(a)11~(b)12tetradecahydroindeno(21a)phenanthren2yl)acetate
(2R4aR6aS)6bacetyl4a6adimethyl2344a4b566a6b71010a1111a11b12hexadecahydro1Hindeno(21a)phenanthren2ylacetate
(4R6aR8aS)8bacetyl6a8adimethyl34566a6b788a8b91212a1313a13bhexadecahydro1Hindeno(21a)phenanthren4ylacetate
16395482
CC(=O)O(C@@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3CC3C2(CC=CC3)C(=O)C)C)C1)C
InChI=1SC27H38O3c117(28)271265720(27)16242298191521(3018(2)29)101325(193)23(22)111426(2427)4h5682024H7916H214H3t20?2122?23?24?25+26+27?m1s1
MFCD01545163
ZINC000004025005
ZINC000253500132

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.