Vitas-M small molecule compound
2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxy-5-nitrophenyl)acetamide
Catalog ID
STK307975
SMILES COc1cc(NC(=O)CSc2nnc(n2C)CCn2nc(c(c2C)[N+](=O)[O-])C)cc(c1)[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 C19H22N8O6S MW 490.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N8O6S/c1-11-18(27(31)32)12(2)25(23-11)6-5-16-21-22-19(24(16)3)34-10-17(28)20-13-7-14(26(29)30)9-15(8-13)33-4/h7-9H,5-6,10H2,1-4H3,(H,20,28)InChIKey
FYZHHJUXMWXQEE-UHFFFAOYSA-NSynonyms
1005593-49-61005593496
2((5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4methyl4H124triazol3yl)sulfanyl)N(3methoxy5nitrophenyl)acetamide
2((5(2(35dimethyl4nitropyrazol1yl)ethyl)4methyl124triazol3yl)sulfanyl)N(3methoxy5nitrophenyl)acetamide
CC1=C(C(=NN1CCC2=NN=C(N2C)SCC(=O)NC3=CC(=CC(=C3)OC)(N+)(=O)(O))C)(N+)(=O)(O)
COc1cc(NC(=O)CSc2nnc(n2C)CCn2nc(c(c2C)(N+)(=O)(O))C)cc(c1)(N+)(=O)(O)
InChI=1SC19H22N8O6Sc11118(27(31)32)12(2)25(2311)6516212219(24(16)3)341017(28)2013714(26(29)30)915(813)334h79H5610H214H3(H2028)
MFCD06195409
ZINC000002794796
ZINC02794796
ZINC2794796
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