Vitas-M small molecule compound
N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)glutamic acid
Catalog ID
STL537744
SMILES O=C(NC(C(=O)O)CCC(=O)O)CCC(=O)OC1CCC2[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 C28H39NO8 MW 517.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO8/c1-27-13-11-17(30)15-16(27)3-4-18-19-5-7-22(28(19,2)14-12-20(18)27)37-25(34)10-8-23(31)29-21(26(35)36)6-9-24(32)33/h15,18-22H,3-14H2,1-2H3,(H,29,31)(H,32,33)(H,35,36)/t18?,19?,20?,21?,22?,27-,28-/m0/s1InChIKey
PUKMCTZYHAKDEA-WYVZDMFDSA-NSynonyms
16398137
2((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)pentanedioicacid
2(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)pentanedioicacid
InChI=1SC28H39NO8c127131117(30)1516(27)3418195722(28(192)141220(18)27)3725(34)10823(31)2921(26(35)36)6924(32)33h151822H314H212H3(H2931)(H3233)(H3536)t18?19?20?21?22?2728m0s1
MFCD03660515
N(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)glutamicacid
O=C(NC(C(=O)O)CCC(=O)O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000012661513
ZINC000253499860
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