Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylglutamine
Catalog ID
STL528344
SMILES O=C(NC(C(=O)NC(C(=O)O)CCC(=O)N)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 C35H51N3O11 MW 689.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H51N3O11/c1-18(2)30(31(45)37-23(32(46)47)7-8-26(36)42)38-27(43)9-10-28(44)49-17-25(41)35(48)14-12-22-21-6-5-19-15-20(39)11-13-33(19,3)29(21)24(40)16-34(22,35)4/h15,18,21-24,29-30,40,48H,5-14,16-17H2,1-4H3,(H2,36,42)(H,37,45)(H,38,43)(H,46,47)/InChIKey
OIKRAKPYDRLIKA-CJUAPRFLSA-NSynonyms
16404709
5amino2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)5oxopentanoicacid
5amino2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)5oxopentanoicacid
InChI=1SC35H51N3O11c118(2)30(31(45)3723(32(46)47)7826(36)42)3827(43)91028(44)491725(41)35(48)1412222165191520(39)111333(193)29(21)24(40)1634(2235)4h1518212429304048H5141617H214H3(H23642)(H3745)(H3843)(H4647)t21?22?23?24?29?30?333435m0s1
MFCD04077372
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylglutamine
O=C(NC(C(=O)NC(C(=O)O)CCC(=O)N)C(C)C)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000253504132
ZINC000253504147
Check stock
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