Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-17-(acetylamino)androst-5-ene-3,16-diyl dipropanoate
Catalog ID
STL526787
SMILES CCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2NC(=O)C)OC(=O)CC)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 C27H41NO5 MW 459.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO5/c1-6-23(30)32-18-10-12-26(4)17(14-18)8-9-19-20(26)11-13-27(5)21(19)15-22(33-24(31)7-2)25(27)28-16(3)29/h8,18-22,25H,6-7,9-15H2,1-5H3,(H,28,29)/t18?,19?,20?,21?,22-,25?,26+,27+/m1/s1InChIKey
YLSBYTIIDBNZDJ-ZMDRUXFWSA-NSynonyms
((10~(R)13~(S)16~(R))17acetamido1013dimethyl16propanoyloxy234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)propanoate
(3R8R9S10R13S14S16R)17acetamido1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene316diyldipropionate
(8xi9xi14xi16alpha)17(acetylamino)androst5ene316diyldipropanoate
135639199
CCC(=O)O(C@@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@H)(C2NC(=O)C)OC(=O)CC)C)C1)C
InChI=1SC27H41NO5c1623(30)3218101226(4)17(1418)891920(26)111327(5)21(19)1522(3324(31)72)25(27)2816(3)29h8182225H67915H215H3(H2829)t18?19?20?21?2225?26+27+m1s1
MFCD03006022
ZINC001772492491
ZINC001772492494
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