Vitas-M small molecule compound
2-({5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
Catalog ID
STK307744
SMILES O=C(Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)CSc1nnc(n1CC1CCCO1)Cc1cc(nn1C)C
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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 C22H26N8O6S MW 530.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N8O6S/c1-13-7-16(27(3)26-13)10-20-24-25-22(28(20)11-17-5-4-6-36-17)37-12-21(31)23-15-8-18(29(32)33)14(2)19(9-15)30(34)35/h7-9,17H,4-6,10-12H2,1-3H3,(H,23,31)InChIKey
ALSKVSQQIJMZIS-UHFFFAOYSA-NSynonyms
1005566-09-51005566095
2((5((13dimethyl1Hpyrazol5yl)methyl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)N(4methyl35dinitrophenyl)acetamide
2((5((25dimethylpyrazol3yl)methyl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)N(4methyl35dinitrophenyl)acetamide
CC1=NN(C(=C1)CC2=NN=C(N2CC3CCCO3)SCC(=O)NC4=CC(=C(C(=C4)(N+)(=O)(O))C)(N+)(=O)(O))C
InChI=1SC22H26N8O6Sc113716(27(3)2613)1020242522(28(20)11175463617)371221(31)2315818(29(32)33)14(2)19(915)30(34)35h7917H461012H213H3(H2331)
MFCD06195400
O=C(Nc1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)CSc1nnc(n1CC1CCCO1)Cc1cc(nn1C)C
ZINC000102006105
ZINC000102006109
Check stock
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