Vitas-M small molecule compound
3,7-dihydroxy-24-[4-(4-methoxyphenyl)piperazin-1-yl]cholan-24-one
Catalog ID
STL470848
SMILES COc1ccc(cc1)N1CCN(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 C35H54N2O4 MW 566.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H54N2O4/c1-23(5-12-32(40)37-19-17-36(18-20-37)25-6-8-27(41-4)9-7-25)28-10-11-29-33-30(14-16-35(28,29)3)34(2)15-13-26(38)21-24(34)22-31(33)39/h6-9,23-24,26,28-31,33,38-39H,5,10-22H2,1-4H3InChIKey
RVTSKFQLHPMWKP-UHFFFAOYSA-NSynonyms
(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)1(4(4methoxyphenyl)piperazin1yl)pentan1one
37dihydroxy24(4(4methoxyphenyl)piperazin1yl)cholan24one
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)1(4(4methoxyphenyl)piperazin1yl)pentan1one
CC(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C
COc1ccc(cc1)N1CCN(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)C
InChI=1SC35H54N2O4c123(51232(40)37191736(182037)256827(414)9725)281011293330(141635(2829)3)34(2)151326(38)2124(34)2231(33)39h692324262831333839H51022H214H3
MFCD31751149
ZINC000334162365
ZINC000334162368
Check stock
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Check stock on Vitas-MAvailable files
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