Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-N-[1-(propan-2-yl)-1H-indol-4-yl]cholan-24-amide
Catalog ID
STL538350
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)Nc1cccc2c1ccn2C(C)C)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 C35H52N2O3 MW 548.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H52N2O3/c1-21(2)37-18-16-26-30(7-6-8-31(26)37)36-33(40)14-9-22(3)27-12-13-28-25-11-10-23-19-24(38)15-17-34(23,4)29(25)20-32(39)35(27,28)5/h6-8,16,18,21-25,27-29,32,38-39H,9-15,17,19-20H2,1-5H3,(H,36,40)/t22-,23-,24-,25+,27-,28+,29+,32+,34+,35-InChIKey
ABVJACINIDDRSE-ICXCINATSA-NSynonyms
(3alpha5beta12alpha)312dihydroxyN(1(propan2yl)1Hindol4yl)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)(1propan2ylindol4yl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(1isopropyl1Hindol4yl)pentanamide
71691926
InChI=1SC35H52N2O3c121(2)3718162630(76831(26)37)3633(40)14922(3)27121328251110231924(38)151734(234)29(25)2032(39)35(2728)5h68161821252729323839H915171920H215H3(H3640)t22232425+2728+29+32+34+35m1s1
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)Nc1cccc2c1ccn2C(C)C)C)C)C
ZINC000072325224
ZINC72325224
Check stock
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