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Vitas-M small molecule compound

(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(1H-indol-4-yl)cholan-24-amide

Catalog ID
STL538385
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)Nc1cccc2c1cc[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(7-12-30(37)34-28-6-4-5-27-23(28)14-16-33-27)24-10-11-25-22-9-8-20-17-21(35)13-15-31(20,2)26(22)18-29(36)32(24,25)3/h4-6,14,16,19-22,24-26,29,33,35-36H,7-13,15,17-18H2,1-3H3,(H,34,37)/t19-,20-,21-,22+,24-,25+,26+,29+,31+,32-/m1/s1
InChIKey
LWARSROQMPURPA-IQCDNIPESA-N
Synonyms

(3alpha5beta12alpha)312dihydroxyN(1Hindol4yl)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)indol4yl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(1Hindol4yl)pentanamide
71692318
InChI=1SC32H46N2O3c119(71230(37)34286452723(28)14163327)241011252298201721(35)131531(202)26(22)1829(36)32(2425)3h4614161922242629333536H713151718H213H3(H3437)t19202122+2425+26+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)Nc1cccc2c1cc(nH)2)C)C)C
ZINC000072326171
ZINC72326171

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Available files

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