Vitas-M small molecule compound
(3alpha,5beta,12alpha)-N-[5-(acetylamino)-2-methoxyphenyl]-3,12-dihydroxycholan-24-amide
Catalog ID
STL538290
SMILES COc1ccc(cc1NC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)O)C)NC(=O)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 C33H50N2O5 MW 554.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H50N2O5/c1-19(6-13-31(39)35-28-17-22(34-20(2)36)8-12-29(28)40-5)25-10-11-26-24-9-7-21-16-23(37)14-15-32(21,3)27(24)18-30(38)33(25,26)4/h8,12,17,19,21,23-27,30,37-38H,6-7,9-11,13-16,18H2,1-5H3,(H,34,36)(H,35,39)/t19-,21-,23-,24+,25-,26+,27+,30+InChIKey
FFEWSOLOTFRBGH-AHAFYLACSA-NSynonyms
(3alpha5beta12alpha)N(5(acetylamino)2methoxyphenyl)312dihydroxycholan24amide
(4~(R))~(N)(5acetamido2methoxyphenyl)4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)N(5acetamido2methoxyphenyl)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71753577
COc1ccc(cc1NC(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@H)(C2)O)C)NC(=O)C
InChI=1SC33H50N2O5c119(61331(39)35281722(3420(2)36)81229(28)405)251011262497211623(37)141532(213)27(24)1830(38)33(2526)4h8121719212327303738H67911131618H215H3(H3436)(H3539)t19212324+2526+27+30+32+33m1s1
ZINC000072324998
ZINC72324998
Check stock
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