Vitas-M small molecule compound
methyl N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)histidinate
Catalog ID
STL525770
SMILES COC(=O)C(Cc1c[nH]cn1)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 C32H43N3O9 MW 613.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O9/c1-30-10-8-20(36)12-18(30)4-5-21-22-9-11-32(42,31(22,2)14-24(37)28(21)30)25(38)16-44-27(40)7-6-26(39)35-23(29(41)43-3)13-19-15-33-17-34-19/h12,15,17,21-24,28,37,42H,4-11,13-14,16H2,1-3H3,(H,33,34)(H,35,39)/t21?,22?,23?,24?,28?,30-,31-,InChIKey
HBQDVVGLWGQNCP-KXCPPSHQSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((3(1~(H)imidazol5yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((3(1Himidazol4yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
44662213
COC(=O)C(Cc1c(nH)cn1)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
InChI=1SC32H43N3O9c13010820(36)1218(30)45212291132(4231(222)1424(37)28(21)30)25(38)164427(40)7626(39)3523(29(41)433)13191533173419h1215172124283742H411131416H213H3(H3334)(H3539)t21?22?23?24?28?303132m0s1
methylN(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)histidinate
MFCD02058080
ZINC000253504943
ZINC000253504960
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