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Vitas-M small molecule compound

(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(1H-indol-5-yl)cholan-24-amide

Catalog ID
STL538648
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)Nc1ccc2c(c1)cc[nH]2)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 C32H46N2O3 MW 506.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N2O3/c1-19(4-11-30(37)34-22-6-10-28-20(16-22)13-15-33-28)25-8-9-26-24-7-5-21-17-23(35)12-14-31(21,2)27(24)18-29(36)32(25,26)3/h6,10,13,15-16,19,21,23-27,29,33,35-36H,4-5,7-9,11-12,14,17-18H2,1-3H3,(H,34,37)/t19-,21-,23-,24+,25-,26+,27+,29+,
InChIKey
SPGXPOVHNMNZKW-ZZYJNZMJSA-N
Synonyms

(3alpha5beta12alpha)312dihydroxyN(1Hindol5yl)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)indol5yl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(1Hindol5yl)pentanamide
71754367
InChI=1SC32H46N2O3c119(41130(37)34226102820(1622)13153328)2589262475211723(35)121431(212)27(24)1829(36)32(2526)3h6101315161921232729333536H45791112141718H213H3(H3437)t19212324+2526+27+29+31+32m1s1
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)Nc1ccc2c(c1)cc(nH)2)C)C)C
ZINC000079193541
ZINC79193541

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Available files

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