Vitas-M small molecule compound
2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK124705
SMILES COc1ccc(cc1)c1nnc(n1C)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
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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 C18H17N5O4S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O4S/c1-22-17(12-3-9-15(27-2)10-4-12)20-21-18(22)28-11-16(24)19-13-5-7-14(8-6-13)23(25)26/h3-10H,11H2,1-2H3,(H,19,24)InChIKey
DQQCILXDMKKSIO-UHFFFAOYSA-NSynonyms
2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((5(4METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2(5(4METHOXYPHENYL)4METHYL(124TRIAZOL3YLTHIO))N(4NITROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1C)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H17N5O4Sc12217(123915(272)10412)202118(22)281116(24)19135714(8613)23(25)26h310H11H212H3(H1924)
MFCD02589512
ZINC000004699671
ZINC04699671
ZINC4699671
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