Vitas-M small molecule compound
1-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)proline
Catalog ID
STL547899
SMILES O=C(CCC(=O)N1CCCC1C(=O)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 C30H41NO8 MW 543.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO8/c1-28-12-9-19(32)16-18(28)5-6-20-21(28)10-13-29(2)22(20)11-14-30(29,38)24(33)17-39-26(35)8-7-25(34)31-15-3-4-23(31)27(36)37/h16,20-23,38H,3-15,17H2,1-2H3,(H,36,37)/t20?,21?,22?,23?,28-,29-,30-/m0/s1InChIKey
JUOPOCPDDLRRKB-XGDDLOTFSA-NSynonyms
1(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)proline
1(4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylicacid
1(4(2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylicacid
42648577
InChI=1SC30H41NO8c12812919(32)1618(28)562021(28)101329(2)22(20)111430(2938)24(33)173926(35)8725(34)31153423(31)27(36)37h16202338H31517H212H3(H3637)t20?21?22?23?282930m0s1
MFCD03267822
O=C(CCC(=O)N1CCCC1C(=O)O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000070672961
ZINC000257198840
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.