Vitas-M small molecule compound
2-({(4Z)-1-cyclopropyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Catalog ID
STL401992
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSC1=N/C(=C\c2cn(nc2C)C)/C(=O)N1C1CC1
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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 C20H20N6O4S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O4S/c1-12-13(10-24(2)23-12)8-17-19(28)25(15-6-7-15)20(22-17)31-11-18(27)21-14-4-3-5-16(9-14)26(29)30/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,21,27)/b17-8-InChIKey
RKSBDJVVQSRQGH-IUXPMGMMSA-NSynonyms
1005602-13-01005602130
2(((4Z)1cyclopropyl4((13dimethyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)N(3nitrophenyl)acetamide
2((4Z)1cyclopropyl4((13dimethylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylN(3nitrophenyl)acetamide
CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O))C4CC4)C
InChI=1SC20H20N6O4Sc11213(1024(2)2312)81719(28)25(156715)20(2217)311118(27)211443516(914)26(29)30h3581015H6711H212H3(H2127)b178
MFCD04133774
O=C(Nc1cccc(c1)(N+)(=O)(O))CSC1=NC(=Cc2cn(nc2C)C)C(=O)N1C1CC1
ZINC000002800540
ZINC02800540
ZINC2800540
Check stock
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Check stock on Vitas-MAvailable files
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