Vitas-M small molecule compound
2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide
Catalog ID
STK244449
SMILES CNC(=O)CSc1nnc(n1Cc1ccccc1)c1ccc(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 C18H17N5O3S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O3S/c1-19-16(24)12-27-18-21-20-17(14-7-9-15(10-8-14)23(25)26)22(18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,24)InChIKey
UNVDWTNTXXDNKQ-UHFFFAOYSA-NSynonyms
2((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)NMETHYLACETAMIDE
2((4benzyl5(4nitrophenyl)4H124triazol3yl)sulfanyl)Nmethylacetamide
CNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)(N+)(=O)(O)
CNC(=O)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H17N5O3Sc11916(24)122718212017(147915(10814)23(25)26)22(18)11135324613h210H1112H21H3(H1924)
MFCD04211260
ZINC000001140963
ZINC01140963
ZINC1140963
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