Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylcysteine
Catalog ID
STL528278
SMILES SCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)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 C33H48N2O10S MW 664.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48N2O10S/c1-17(2)28(29(41)34-22(16-46)30(42)43)35-25(39)7-8-26(40)45-15-24(38)33(44)12-10-21-20-6-5-18-13-19(36)9-11-31(18,3)27(20)23(37)14-32(21,33)4/h13,17,20-23,27-28,37,44,46H,5-12,14-16H2,1-4H3,(H,34,41)(H,35,39)(H,42,43)/t20?,21?,22?,23InChIKey
JDNGDIDURZRTFM-RRPKFXDRSA-NSynonyms
16404116
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)3sulfanylpropanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)3mercaptopropanoicacid
InChI=1SC33H48N2O10Sc117(2)28(29(41)3422(1646)30(42)43)3525(39)7826(40)451524(38)33(44)1210212065181319(36)91131(183)27(20)23(37)1432(2133)4h131720232728374446H5121416H214H3(H3441)(H3539)(H4243)t20?21?22?23?27?28?313233m0s1
MFCD04078148
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylcysteine
SCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000253503934
ZINC000253503950
Check stock
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Check stock on Vitas-MAvailable files
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