Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)alanylmethionine
Catalog ID
STL528247
SMILES CSCCC(C(=O)O)NC(=O)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)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 C33H48N2O10S MW 664.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48N2O10S/c1-18(29(41)35-23(30(42)43)11-14-46-4)34-26(39)7-8-27(40)45-17-25(38)33(44)13-10-22-21-6-5-19-15-20(36)9-12-31(19,2)28(21)24(37)16-32(22,33)3/h15,18,21-24,28,37,44H,5-14,16-17H2,1-4H3,(H,34,39)(H,35,41)(H,42,43)/t18?,21?,22?,23?,24?,InChIKey
LXGZVGMIWXLECK-RYHQZADLSA-NSynonyms
2(2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoylamino)4methylsulfanylbutanoicacid
2(2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanamido)4(methylthio)butanoicacid
44660916
CSCCC(C(=O)O)NC(=O)C(NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)C
InChI=1SC33H48N2O10Sc118(29(41)3523(30(42)43)1114464)3426(39)7827(40)451725(38)33(44)1310222165191520(36)91231(192)28(21)24(37)1632(2233)3h15182124283744H5141617H214H3(H3439)(H3541)(H4243)t18?21?22?23?24?28?313233m0s1
MFCD03849893
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)alanylmethionine
ZINC000257361159
ZINC000257361177
Check stock
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Check stock on Vitas-MAvailable files
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