Vitas-M small molecule compound

methyl 1-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-4-hydroxyprolinate

Catalog ID
STL524836
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 C31H43NO10 MW 589.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43NO10/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/h12,19-23,27,34-35,40H,4-11,13-16H2,1-3H3/t19?,20?,21?,22?,23?,27?,29-,30-,31-/m0/s1
InChIKey
MGIVKUYJIOWVDB-JLTFVXRKSA-N
Synonyms

44661931
COC(=O)C1CC(CN1C(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)O
InChI=1SC31H43NO10c12910818(33)1217(29)45202191131(4030(212)1423(35)27(20)29)24(36)164226(38)7625(37)321519(34)1322(32)28(39)413h12192327343540H4111316H213H3t19?20?21?22?23?27?293031m0s1
methyl1(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)4hydroxyprolinate
methyl1(4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylate
methyl1(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylate
MFCD02058799
ZINC000253505800
ZINC000253505804

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.