Vitas-M small molecule compound
(3alpha,5beta,12alpha)-N-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3,12-dihydroxycholan-24-amide
Catalog ID
STL538262
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)/N=c/1\[nH]c2c([nH]1)cccc2)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 C31H45N3O3 MW 507.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45N3O3/c1-18(8-13-28(37)34-29-32-25-6-4-5-7-26(25)33-29)22-11-12-23-21-10-9-19-16-20(35)14-15-30(19,2)24(21)17-27(36)31(22,23)3/h4-7,18-24,27,35-36H,8-17H2,1-3H3,(H2,32,33,34,37)/t18-,19-,20-,21+,22-,23+,24+,27+,30+,31-/m1/s1InChIKey
UTDXURRIUASXHX-JURVNPNNSA-NSynonyms
(3alpha5beta12alpha)N(13dihydro2Hbenzimidazol2ylidene)312dihydroxycholan24amide
(4~(R))~(N)(1~(H)benzimidazol2yl)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
71753601
InChI=1SC31H45N3O3c118(81328(37)34293225645726(25)3329)2211122321109191620(35)141530(192)24(21)1727(36)31(2223)3h471824273536H817H213H3(H232333437)t18192021+2223+24+27+30+31m1s1
ZINC000072325062
ZINC72325062
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