Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(1H-imidazol-2-yl)cholan-24-amide
Catalog ID
STL538320
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)Nc1ncc[nH]1)C)C)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 C27H43N3O3 MW 457.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H43N3O3/c1-16(4-9-24(33)30-25-28-12-13-29-25)20-7-8-21-19-6-5-17-14-18(31)10-11-26(17,2)22(19)15-23(32)27(20,21)3/h12-13,16-23,31-32H,4-11,14-15H2,1-3H3,(H2,28,29,30,33)/t16-,17-,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1InChIKey
DBBSZWPOVOCBJB-IOJOMAJISA-NSynonyms
(3alpha5beta12alpha)312dihydroxyN(1Himidazol2yl)cholan24amide
(4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(1~(H)imidazol2yl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(1Himidazol2yl)pentanamide
71692111
InChI=1SC27H43N3O3c116(4924(33)30252812132925)2078211965171418(31)101126(172)22(19)1523(32)27(2021)3h121316233132H4111415H213H3(H228293033)t16171819+2021+22+23+26+27m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)Nc1ncc(nH)1)C)C)C
ZINC000072325682
ZINC72325682
Check stock
See real-time availability and sample size for STL538320 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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