Vitas-M small molecule compound
S-[(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl] O-decyl carbonothioate
Catalog ID
STL546642
SMILES CCCCCCCCCCOC(=O)S[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(CCCC(C)C)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 C38H66O2S MW 587.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H66O2S/c1-7-8-9-10-11-12-13-14-26-40-36(39)41-31-22-24-37(5)30(27-31)18-19-32-34-21-20-33(29(4)17-15-16-28(2)3)38(34,6)25-23-35(32)37/h18,28-29,31-35H,7-17,19-27H2,1-6H3/t29?,31-,32?,33?,34?,35?,37-,38+/m0/s1InChIKey
GBZGWSBLYQDGKR-GWNSABSXSA-NSynonyms
51052094
CCCCCCCCCCOC(=O)S(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2C(CCCC(C)C)C)C)C1)C
decyl((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)sulfanylformate
InChI=1SC38H66O2Sc17891011121314264036(39)4131222437(5)30(2731)18193234212033(29(4)17151628(2)3)38(346)252335(32)37h1828293135H7171927H216H3t29?3132?33?34?35?3738+m0s1
OdecylS((3S10R13R)1013dimethyl17(6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)carbonothioate
S((3beta8xi9xi14xi17xi20xi)cholest5en3yl)Odecylcarbonothioate
ZINC000253531081
ZINC000253531085
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