Vitas-M small molecule compound
N-benzyl-2-({(4E)-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Catalog ID
STL401905
SMILES CC(CN1C(=N/C(=C/c2cnn(c2)C)/C1=O)SCC(=O)NCc1ccccc1)C
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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 C21H25N5O2S MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O2S/c1-15(2)12-26-20(28)18(9-17-11-23-25(3)13-17)24-21(26)29-14-19(27)22-10-16-7-5-4-6-8-16/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,22,27)/b18-9+InChIKey
MNPCJOBCYQTMTB-GIJQJNRQSA-NSynonyms
1005555-37-21005555372
CC(C)CN1C(=O)C(=CC2=CN(N=C2)C)N=C1SCC(=O)NCC3=CC=CC=C3
CC(CN1C(=NC(=Cc2cnn(c2)C)C1=O)SCC(=O)NCc1ccccc1)C
InChI=1SC21H25N5O2Sc115(2)122620(28)18(917112325(3)1317)2421(26)291419(27)2210167546816h49111315H101214H213H3(H2227)b189+
MFCD04050272
Nbenzyl2(((4E)1(2methylpropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetamide
Nbenzyl2((4E)1(2methylpropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetamide
ZINC000006387751
ZINC06387751
ZINC6387751
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