Vitas-M small molecule compound
24-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-3,7-dihydroxycholan-24-one
Catalog ID
STL470860
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)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 C37H54N2O6 MW 622.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H54N2O6/c1-23(8-11-33(42)38-16-18-39(19-17-38)35(43)32-22-44-30-6-4-5-7-31(30)45-32)26-9-10-27-34-28(13-15-37(26,27)3)36(2)14-12-25(40)20-24(36)21-29(34)41/h4-7,23-29,32,34,40-41H,8-22H2,1-3H3InChIKey
WSTKGNAYSQFSDX-UHFFFAOYSA-NSynonyms
(4R)1(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
1(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
24(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)37dihydroxycholan24one
CC(CCC(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2)C4CCC5C4(CCC6C5C(CC7C6(CCC(C7)O)C)O)C
InChI=1SC37H54N2O6c123(81133(42)38161839(191738)35(43)32224430645731(30)4532)26910273428(131537(2627)3)36(2)141225(40)2024(36)2129(34)41h47232932344041H822H213H3
MFCD31751158
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)C(=O)C1COc2c(O1)cccc2)C)C)O)C
ZINC000334162677
ZINC000334162683
Check stock
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