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Vitas-M small molecule compound

24-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,7-dihydroxycholan-24-one

Catalog ID
STL470868
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C36H54N2O5 MW 594.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54N2O5/c1-23(4-9-33(41)38-16-14-37(15-17-38)21-24-5-8-31-32(18-24)43-22-42-31)27-6-7-28-34-29(11-13-36(27,28)3)35(2)12-10-26(39)19-25(35)20-30(34)40/h5,8,18,23,25-30,34,39-40H,4,6-7,9-17,19-22H2,1-3H3
InChIKey
OSUWNCLMMHAWGU-UHFFFAOYSA-N
Synonyms

(R)1(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1onehydrochloride
1(4(13benzodioxol5ylmethyl)piperazin1yl)4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
24(4(13benzodioxol5ylmethyl)piperazin1yl)37dihydroxycholan24one
CC(CCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4CCC5C4(CCC6C5C(CC7C6(CCC(C7)O)C)O)C
InChI=1SC36H54N2O5c123(4933(41)38161437(151738)2124583132(1824)43224231)2767283429(111336(2728)3)35(2)121026(39)1925(35)2030(34)40h5818232530343940H4679171922H213H3
MFCD31751166
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@@H)((C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C)C)O)CCl
ZINC000334162178
ZINC000334162181

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Available files

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