Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylalanine
Catalog ID
STL528271
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)NC(C(=O)O)C)C(C)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 C33H48N2O10 MW 632.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48N2O10/c1-17(2)28(29(41)34-18(3)30(42)43)35-25(39)8-9-26(40)45-16-24(38)33(44)13-11-22-21-7-6-19-14-20(36)10-12-31(19,4)27(21)23(37)15-32(22,33)5/h14,17-18,21-23,27-28,37,44H,6-13,15-16H2,1-5H3,(H,34,41)(H,35,39)(H,42,43)/t18?,21?,22?,23?,27InChIKey
IDJSATHWBOPJSV-MHHRFVLISA-NSynonyms
16403936
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)propanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)propanoicacid
InChI=1SC33H48N2O10c117(2)28(29(41)3418(3)30(42)43)3525(39)8926(40)451624(38)33(44)1311222176191420(36)101231(194)27(21)23(37)1532(2233)5h141718212327283744H6131516H215H3(H3441)(H3539)(H4243)t18?21?22?23?27?28?313233m0s1
MFCD04075351
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylalanine
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NC(C(=O)NC(C(=O)O)C)C(C)C
ZINC000253503921
ZINC000253503931
Check stock
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