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Vitas-M small molecule compound

(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(1H-indol-4-yl)cholan-24-amide

Catalog ID
STL538408
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)Nc1cccc2c1cc[nH]2)C)C)O)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 C32H46N2O4 MW 522.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N2O4/c1-18(7-10-29(38)34-26-6-4-5-25-21(26)12-14-33-25)22-8-9-23-30-24(17-28(37)32(22,23)3)31(2)13-11-20(35)15-19(31)16-27(30)36/h4-6,12,14,18-20,22-24,27-28,30,33,35-37H,7-11,13,15-17H2,1-3H3,(H,34,38)/t18-,19+,20-,22-,23+,24+,27-,28+,30+,
InChIKey
NWOITXVIARPEPS-ZHYGPXSLSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(1Hindol4yl)cholan24amide
(4~(R))~(N)(1~(H)indol4yl)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)pentanamide
(R)N(1Hindol4yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692307
InChI=1SC32H46N2O4c118(71029(38)34266452521(26)12143325)2289233024(1728(37)32(2223)3)31(2)131120(35)1519(31)1627(30)36h46121418202224272830333537H711131517H213H3(H3438)t1819+202223+24+2728+30+31+32m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@H)((C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)Nc1cccc2c1cc(nH)2)C)C)O)C
ZINC000072326146
ZINC72326146

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Available files

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