Vitas-M small molecule compound
methyl 1-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)prolinate
Catalog ID
STL527363
SMILES COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C31H41NO9 MW 571.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41NO9/c1-29-12-10-19(33)15-18(29)6-7-20-21-11-13-31(39,30(21,2)16-23(34)27(20)29)24(35)17-41-26(37)9-8-25(36)32-14-4-5-22(32)28(38)40-3/h15,20-22,27,39H,4-14,16-17H2,1-3H3/t20?,21?,22?,27?,29-,30-,31-/m0/s1InChIKey
KGCYEHKRMXHVDC-ZGDQIXEISA-NSynonyms
44666122
COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC31H41NO9c129121019(33)1518(29)672021111331(3930(212)1623(34)27(20)29)24(35)174126(37)9825(36)32144522(32)28(38)403h1520222739H4141617H213H3t20?21?22?27?293031m0s1
methyl1(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)prolinate
methyl1(4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylate
methyl1(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylate
MFCD03267266
ZINC000253501825
ZINC000253501828
Check stock
See real-time availability and sample size for STL527363 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.