Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylmethionine
Catalog ID
STL528450
SMILES CSCCC(C(=O)O)NC(=O)C(C(C)C)NC(=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 C35H52N2O10S MW 692.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H52N2O10S/c1-19(2)30(31(43)36-24(32(44)45)12-15-48-5)37-27(41)8-9-28(42)47-18-26(40)35(46)14-11-23-22-7-6-20-16-21(38)10-13-33(20,3)29(22)25(39)17-34(23,35)4/h16,19,22-25,29-30,39,46H,6-15,17-18H2,1-5H3,(H,36,43)(H,37,41)(H,44,45)/t22?,23?,24?InChIKey
NFFAFKACCGSCKL-PWGFVQQGSA-NSynonyms
16404414
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)4methylsulfanylbutanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)4(methylthio)butanoicacid
CSCCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC35H52N2O10Sc119(2)30(31(43)3624(32(44)45)1215485)3727(41)8928(42)471826(40)35(46)1411232276201621(38)101333(203)29(22)25(39)1734(2335)4h1619222529303946H6151718H215H3(H3643)(H3741)(H4445)t22?23?24?25?29?30?333435m0s1
MFCD04072156
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylmethionine
ZINC000253504030
ZINC000253504049
Check stock
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Check stock on Vitas-MAvailable files
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