Vitas-M small molecule compound
ethyl 5-({1-methyl-4-[(2,4,6-trichlorophenyl)carbamoyl]-1H-1,2,3-triazol-5-yl}sulfanyl)-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL437170
SMILES CCOC(=O)c1nnsc1Sc1n(C)nnc1C(=O)Nc1c(Cl)cc(cc1Cl)Cl
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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 C15H11Cl3N6O3S2 MW 493.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11Cl3N6O3S2/c1-3-27-14(26)11-15(29-23-21-11)28-13-10(20-22-24(13)2)12(25)19-9-7(17)4-6(16)5-8(9)18/h4-5H,3H2,1-2H3,(H,19,25)InChIKey
XDHKQBJHJATJMH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SN=N1)SC2=C(N=NN2C)C(=O)NC3=C(C=C(C=C3Cl)Cl)Cl
ETHYL5((1METHYL4(((246TRICHLOROPHENYL)AMINO)CARBONYL)1H123TRIAZOL5YL)THIO)123THIADIAZOLE4CARBOXYLATE
ethyl5((1methyl4((246trichlorophenyl)carbamoyl)1H123triazol5yl)sulfanyl)123thiadiazole4carboxylate
ETHYL5(3METHYL5((246TRICHLOROPHENYL)CARBAMOYL)TRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC15H11Cl3N6O3S2c132714(26)1115(29232111)281310(202224(13)2)12(25)1997(17)46(16)58(9)18h45H3H212H3(H1925)
MFCD06242449
ZINC000013517223
ZINC13517223
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