Vitas-M small molecule compound
4-hydroxy-1-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)proline
Catalog ID
STL527173
SMILES OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=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 C30H41NO9 MW 559.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO9/c1-28-10-7-18(32)13-17(28)3-4-20-21(28)8-11-29(2)22(20)9-12-30(29,39)24(34)16-40-26(36)6-5-25(35)31-15-19(33)14-23(31)27(37)38/h13,19-23,33,39H,3-12,14-16H2,1-2H3,(H,37,38)/t19?,20?,21?,22?,23?,28-,29-,30-/m0/s1InChIKey
RUEIZZQOIROXMJ-PPVLXNEYSA-NSynonyms
44665004
4hydroxy1(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)proline
4hydroxy1(4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylicacid
4hydroxy1(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylicacid
InChI=1SC30H41NO9c12810718(32)1317(28)342021(28)81129(2)22(20)91230(2939)24(34)164026(36)6525(35)311519(33)1423(31)27(37)38h1319233339H3121416H212H3(H3738)t19?20?21?22?23?282930m0s1
MFCD03267953
OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253501984
ZINC000253501993
Check stock
See real-time availability and sample size for STL527173 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.