Vitas-M small molecule compound
4-{[N-(4-{[(8xi,9xi,10xi,13xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valyl]amino}-2-hydroxy-3,3-dimethylbutanoic acid
Catalog ID
STL528489
SMILES O=C(NC(C(=O)NCC(C(C(=O)O)O)(C)C)C(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C
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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 C36H54N2O11 MW 690.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54N2O11/c1-19(2)29(31(45)37-18-33(3,4)30(44)32(46)47)38-26(42)9-10-27(43)49-17-25(41)36(48)14-12-23-22-8-7-20-15-21(39)11-13-34(20,5)28(22)24(40)16-35(23,36)6/h15,19,22-24,28-30,40,44,48H,7-14,16-18H2,1-6H3,(H,37,45)(H,38,42)(H,46,47)/t22?,23InChIKey
MTBFHORQMJSTRY-UEPXHHBZSA-NSynonyms
4((2((4(2((17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)2hydroxy33dimethylbutanoicacid
4((N(4(((8xi9xi10xi13xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valyl)amino)2hydroxy33dimethylbutanoicacid
44660756
InChI=1SC36H54N2O11c119(2)29(31(45)371833(34)30(44)32(46)47)3826(42)91027(43)491725(41)36(48)1412232287201521(39)111334(205)28(22)24(40)1635(2336)6h151922242830404448H7141618H216H3(H3745)(H3842)(H4647)t22?23?24?28?29?30?34?35?36m0s1
MFCD04081130
O=C(NC(C(=O)NCC(C(C(=O)O)O)(C)C)C(C)C)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
ZINC000253504003
ZINC000253504026
Check stock
See real-time availability and sample size for STL528489 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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