Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)leucine
Catalog ID
STL528206
SMILES CC(CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C
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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 C31H45NO8 MW 559.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO8/c1-18(2)15-24(28(37)38)32-26(35)7-8-27(36)40-17-25(34)31(39)14-11-23-21-6-5-19-16-20(33)9-12-29(19,3)22(21)10-13-30(23,31)4/h16,18,21-24,39H,5-15,17H2,1-4H3,(H,32,35)(H,37,38)/t21?,22?,23?,24?,29-,30-,31-/m0/s1InChIKey
AITKVSVHJLXLNM-RREWOGTPSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)4methylpentanoicacid
2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)4methylpentanoicacid
44663878
CC(CC(C(=O)O)NC(=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)C
InChI=1SC31H45NO8c118(2)1524(28(37)38)3226(35)7827(36)401725(34)31(39)1411232165191620(33)91229(193)22(21)101330(2331)4h1618212439H51517H214H3(H3235)(H3738)t21?22?23?24?293031m0s1
MFCD03849873
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)leucine
ZINC000253502995
ZINC000253502999
Check stock
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Check stock on Vitas-MAvailable files
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