Vitas-M small molecule compound
3,4-dimethoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK218760
SMILES COc1ccc(cc1OC)C(=O)NCc1nnc(n1C)SCc1ccc(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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-24-18(11-21-19(26)14-6-9-16(29-2)17(10-14)30-3)22-23-20(24)31-12-13-4-7-15(8-5-13)25(27)28/h4-10H,11-12H2,1-3H3,(H,21,26)InChIKey
RAKRUVYIISKQDZ-UHFFFAOYSA-NSynonyms
34DIMETHOXYN((4METHYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DIMETHOXYN((4METHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CNC(=O)C3=CC(=C(C=C3)OC)OC
COc1ccc(cc1OC)C(=O)NCc1nnc(n1C)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H21N5O5Sc12418(112119(26)146916(292)17(1014)303)222320(24)3112134715(8513)25(27)28h410H1112H213H3(H2126)
MFCD06000135
ZINC000001074344
ZINC01074344
ZINC1074344
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