Vitas-M small molecule compound
methyl 4-hydroxy-1-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)prolinate
Catalog ID
STL529347
SMILES COC(=O)C1CC(CN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)O
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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 C31H41NO10 MW 587.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41NO10/c1-29-10-8-18(33)12-17(29)4-5-20-21-9-11-31(40,30(21,2)14-23(35)27(20)29)24(36)16-42-26(38)7-6-25(37)32-15-19(34)13-22(32)28(39)41-3/h12,19-22,27,34,40H,4-11,13-16H2,1-3H3/t19?,20?,21?,22?,27?,29-,30-,31-/m0/s1InChIKey
XZENBRVCUDCZHT-VSCGPWQUSA-NSynonyms
44661717
COC(=O)C1CC(CN1C(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C)O
InChI=1SC31H41NO10c12910818(33)1217(29)45202191131(4030(212)1423(35)27(20)29)24(36)164226(38)7625(37)321519(34)1322(32)28(39)413h121922273440H4111316H213H3t19?20?21?22?27?293031m0s1
methyl4hydroxy1(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)prolinate
methyl4hydroxy1(4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylate
methyl4hydroxy1(4(2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylate
MFCD03267893
ZINC000257361298
ZINC000257361301
Check stock
See real-time availability and sample size for STL529347 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.