Vitas-M small molecule compound
diethyl 5-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK766354
SMILES CCOC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)[N+](=O)[O-])sc(c1C)C(=O)OCC
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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 C22H22N4O7S MW 486.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O7S/c1-4-32-21(28)17-13(3)18(22(29)33-5-2)34-20(17)23-19(27)15-11-16(26(30)31)24-25(15)12-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,23,27)InChIKey
XQXWRUCGIYBYFB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)(N+)(=O)(O))sc(c1C)C(=O)OCC
DIETHYL5(((1BENZYL3NITRO1HPYRAZOL5YL)CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIETHYL5((2BENZYL5NITROPYRAZOLE3CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)4METHYL2((3NITRO1BENZYLPYRAZOL5YL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H22N4O7Sc143221(28)1713(3)18(22(29)3352)3420(17)2319(27)151116(26(30)31)2425(15)121497681014h611H4512H213H3(H2327)
MFCD02928341
ZINC000009968824
ZINC09968824
ZINC9968824
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