Vitas-M small molecule compound
methyl [(3alpha,5alpha,8xi,9xi,14xi,17alpha)-3-hydroxyandrostan-17-yl]carbamate
Catalog ID
STL548549
SMILES COC(=O)N[C@@H]1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CC[C@H](C2)O
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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 C21H35NO3 MW 349.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H35NO3/c1-20-10-8-14(23)12-13(20)4-5-15-16-6-7-18(22-19(24)25-3)21(16,2)11-9-17(15)20/h13-18,23H,4-12H2,1-3H3,(H,22,24)/t13-,14+,15?,16?,17?,18+,20-,21-/m0/s1InChIKey
CEZKLEHYJURHTB-CSFFQSOUSA-NSynonyms
126054-49-7126054497
3079576
CARBAMICACID((3ALPHA5ALPHA17ALPHA)3HYDROXYANDROSTAN17YL)METHYLESTER
COC(=O)N(C@H)1CCC2(C@)1(C)CCC1C2CC(C@@H)2(C@)1(C)CC(C@H)(C2)O
InChI=1SC21H35NO3c12010814(23)1213(20)4515166718(2219(24)253)21(162)11917(15)20h131823H412H213H3(H2224)t1314+15?16?17?18+2021m0s1
METHYL((3ALPHA5ALPHA17ALPHA)3HYDROXYANDROSTAN17YL)CARBAMATE
methyl((3alpha5alpha8xi9xi14xi17alpha)3hydroxyandrostan17yl)carbamate
methyl((3R5S10S13S17S)3hydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)carbamate
methyl~(N)((3~(R)5~(S)10~(S)13~(S)17~(R))3hydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)carbamate
MFCD03267061
ZINC000004037902
ZINC000004037911
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