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Vitas-M small molecule compound

3,7-dihydroxy-24-[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]cholan-24-one

Catalog ID
STL470869
SMILES COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)CCC(C1CCC2C1(C)CCC1C2C(O)CC2C1(C)CCC(C2)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 C38H60N2O6 MW 640.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H60N2O6/c1-24(7-12-33(43)40-19-17-39(18-20-40)23-25-8-11-32(44-4)36(46-6)35(25)45-5)28-9-10-29-34-30(14-16-38(28,29)3)37(2)15-13-27(41)21-26(37)22-31(34)42/h8,11,24,26-31,34,41-42H,7,9-10,12-23H2,1-6H3
InChIKey
JKPYJRGNAAFGND-UHFFFAOYSA-N
Synonyms

(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)1(4(234trimethoxybenzyl)piperazin1yl)pentan1onehydrochloride
37dihydroxy24(4(234trimethoxybenzyl)piperazin1yl)cholan24one
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)1(4((234trimethoxyphenyl)methyl)piperazin1yl)pentan1one
CC(CCC(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C
COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2(C@@H)(O)C(C@H)2(C@)1(C)CC(C@H)(C2)O)CCl
InChI=1SC38H60N2O6c124(71233(43)40191739(182040)232581132(444)36(466)35(25)455)28910293430(141638(2829)3)37(2)151327(41)2126(37)2231(34)42h811242631344142H79101223H216H3
MFCD31751167
ZINC000334161824
ZINC000334161833

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Available files

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