Vitas-M small molecule compound
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Catalog ID
STK116363
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)Cc1ccccc1
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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 C18H17N5O3S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O3S/c1-22-16(11-13-5-3-2-4-6-13)20-21-18(22)27-12-17(24)19-14-7-9-15(10-8-14)23(25)26/h2-10H,11-12H2,1H3,(H,19,24)InChIKey
KUFSVKHSOOHOCK-UHFFFAOYSA-NSynonyms
2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((5BENZYL4METHYL4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=CC=C3
InChI=1SC18H17N5O3Sc12216(11135324613)202118(22)271217(24)19147915(10814)23(25)26h210H1112H21H3(H1924)
MFCD02226475
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)Cc1ccccc1
ZINC000004690776
ZINC04690776
ZINC4690776
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