Vitas-M small molecule compound
(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(3,4,5-trimethoxyphenyl)cholan-24-amide
Catalog ID
STL538304
SMILES COc1cc(NC(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3[C@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)cc(c1OC)OC
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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 C33H51NO7 MW 573.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H51NO7/c1-18(7-10-29(38)34-20-15-26(39-4)31(41-6)27(16-20)40-5)22-8-9-23-30-24(17-28(37)33(22,23)3)32(2)12-11-21(35)13-19(32)14-25(30)36/h15-16,18-19,21-25,28,30,35-37H,7-14,17H2,1-6H3,(H,34,38)/t18-,19+,21-,22-,23+,24+,25-,28+,30+,32+,33-/m1/InChIKey
SMZRBZGDXAVAHG-YWRIBKBISA-NSynonyms
756483-01-9(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(345trimethoxyphenyl)cholan24amide
(4~(R))4((3~(R)5~(S)7~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))3712trihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(345trimethoxyphenyl)pentanamide
(R)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(345trimethoxyphenyl)pentanamide
71692324
756483019
COc1cc(NC(=O)CC(C@H)((C@H)2CC(C@@H)3(C@)2(C)(C@@H)(O)C(C@H)2(C@H)3(C@H)(O)C(C@H)3(C@)2(C)CC(C@H)(C3)O)C)cc(c1OC)OC
InChI=1SC33H51NO7c118(71029(38)34201526(394)31(416)27(1620)405)2289233024(1728(37)33(2223)3)32(2)121121(35)1319(32)1425(30)36h15161819212528303537H71417H216H3(H3438)t1819+212223+24+2528+30+32+33m1s1
ZINC000072326182
ZINC72326182
Check stock
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