Vitas-M small molecule compound
methyl 1-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)prolinate
Catalog ID
STL526544
SMILES COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[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/h10,12,15,20-23,27,34,39H,4-9,11,13-14,16-17H2,1-3H3/t20?,21?,22?,23?,27?,29-,30-,31+/m0/s1InChIKey
IZTYADBPMXUWSF-ZRPWZFBGSA-NSynonyms
44664254
COC(=O)C1CCCN1C(=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)C=C(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)403h1012152023273439H491113141617H213H3t20?21?22?23?27?293031+m0s1
methyl1(4(((8xi9xi14xi17alpha)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)prolinate
methyl1(4(2((10~(R)13~(S)17~(S))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylate
methyl1(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylate
MFCD02926102
ZINC000253502560
ZINC000253502566
Check stock
See real-time availability and sample size for STL526544 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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