Vitas-M small molecule compound
N-benzyl-2-({(4E)-1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Catalog ID
STL400168
SMILES COCCCN1C(=N/C(=C/c2cnn(c2)C)/C1=O)SCC(=O)NCc1ccccc1
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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 C21H25N5O3S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S/c1-25-14-17(13-23-25)11-18-20(28)26(9-6-10-29-2)21(24-18)30-15-19(27)22-12-16-7-4-3-5-8-16/h3-5,7-8,11,13-14H,6,9-10,12,15H2,1-2H3,(H,22,27)/b18-11+InChIKey
PRAOFKBTQUWJSV-WOJGMQOQSA-NSynonyms
1005608-36-51005608365
CN1C=C(C=N1)C=C2C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CCCOC
COCCCN1C(=NC(=Cc2cnn(c2)C)C1=O)SCC(=O)NCc1ccccc1
InChI=1SC21H25N5O3Sc1251417(132325)111820(28)26(9610292)21(2418)301519(27)2212167435816h3578111314H69101215H212H3(H2227)b1811+
MFCD04050277
Nbenzyl2(((4E)1(3methoxypropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetamide
NBENZYL2((4E)1(3METHOXYPROPYL)4((1METHYLPYRAZOL4YL)METHYLIDENE)5OXOIMIDAZOL2YL)SULFANYLACETAMIDE
ZINC000002785640
ZINC02785640
ZINC2785640
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