Vitas-M small molecule compound

(3alpha,5beta,12alpha)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,12-dihydroxycholan-24-amide

Catalog ID
STL538470
SMILES COc1cc(CCNC(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3CC[C@H]3[C@]2(C)CC[C@H](C3)O)C)ccc1OC

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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 C34H53NO5 MW 555.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H53NO5/c1-21(6-13-32(38)35-17-15-22-7-12-29(39-4)30(18-22)40-5)26-10-11-27-25-9-8-23-19-24(36)14-16-33(23,2)28(25)20-31(37)34(26,27)3/h7,12,18,21,23-28,31,36-37H,6,8-11,13-17,19-20H2,1-5H3,(H,35,38)/t21-,23-,24-,25+,26-,27+,28+,31+,33+,34-/m1/
InChIKey
UHZDSWHGIQXBCP-JMYKRUJHSA-N
Synonyms

(3alpha5beta12alpha)N(2(34dimethoxyphenyl)ethyl)312dihydroxycholan24amide
(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)(2(34dimethoxyphenyl)ethyl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(34dimethoxyphenethyl)pentanamide
71692383
COc1cc(CCNC(=O)CC(C@H)((C@H)2CC(C@@H)3(C@)2(C)(C@@H)(O)C(C@H)2(C@H)3CC(C@H)3(C@)2(C)CC(C@H)(C3)O)C)ccc1OC
InChI=1SC34H53NO5c121(61332(38)3517152271229(394)30(1822)405)261011272598231924(36)141633(232)28(25)2031(37)34(2627)3h71218212328313637H681113171920H215H3(H3538)t21232425+2627+28+31+33+34m1s1
ZINC000072326305
ZINC72326305

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Available files

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