Vitas-M small molecule compound
{[N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valyl]amino}(phenyl)acetic acid
Catalog ID
STL528605
SMILES O=C(NC(C(=O)NC(c1ccccc1)C(=O)O)C(C)C)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 C38H50N2O10 MW 694.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H50N2O10/c1-21(2)32(34(46)40-33(35(47)48)22-8-6-5-7-9-22)39-29(44)12-13-30(45)50-20-28(43)38(49)17-15-26-25-11-10-23-18-24(41)14-16-36(23,3)31(25)27(42)19-37(26,38)4/h5-9,18,21,25-27,31-33,42,49H,10-17,19-20H2,1-4H3,(H,39,44)(H,40,46)(H,47,48)InChIKey
CZYFGJSZHBPKMW-JBZPFLBUSA-NSynonyms
((N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valyl)amino)(phenyl)aceticacid
16403810
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)2phenylaceticacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)2phenylaceticacid
InChI=1SC38H50N2O10c121(2)32(34(46)4033(35(47)48)228657922)3929(44)121330(45)502028(43)38(49)171526251110231824(41)141636(233)31(25)27(42)1937(2638)4h591821252731334249H10171920H214H3(H3944)(H4046)(H4748)t25?26?27?31?32?33?363738m0s1
MFCD04073845
O=C(NC(C(=O)NC(c1ccccc1)C(=O)O)C(C)C)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000253503867
ZINC000253503882
Check stock
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