Vitas-M small molecule compound
methyl 4-{(3E)-1-[2-(dimethylamino)ethyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK634765
SMILES COC(=O)c1ccc(cc1)C1N(CCN(C)C)C(=O)C(=O)/C/1=C(\c1c(C)n[nH]c1C)/O
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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 C22H26N4O5 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5/c1-12-16(13(2)24-23-12)19(27)17-18(14-6-8-15(9-7-14)22(30)31-5)26(11-10-25(3)4)21(29)20(17)28/h6-9,18,27H,10-11H2,1-5H3,(H,23,24)/b19-17+InChIKey
QJQRNPDASKSOER-HTXNQAPBSA-NSynonyms
1192220-39-51192220395
CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(CCN(C)C)C(=O)C(=O)C1=C(c1c(C)n(nH)c1C)O
InChI=1SC22H26N4O5c11216(13(2)242312)19(27)1718(146815(9714)22(30)315)26(111025(3)4)21(29)20(17)28h691827H1011H215H3(H2324)b1917+
methyl4((3E)1(2(dimethylamino)ethyl)3((35dimethyl1Hpyrazol4yl)(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
methyl4((3E)1(2(dimethylamino)ethyl)3((35dimethyl1Hpyrazol4yl)hydroxymethylidene)45dioxopyrrolidin2yl)benzoate
MFCD18160508
ZINC000102738545
ZINC000102738549
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