Vitas-M small molecule compound
2-{[1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazol-5-yl]sulfanyl}-5-methyl-1,3,4-thiadiazole
Catalog ID
STK357464
SMILES Clc1ccc(cc1)Cn1nc(nc1Sc1nnc(s1)C)[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 C12H9ClN6O2S2 MW 368.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN6O2S2/c1-7-15-16-12(22-7)23-11-14-10(19(20)21)17-18(11)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3InChIKey
OLLWDDTVZSLYIA-UHFFFAOYSA-NSynonyms
2((1(4chlorobenzyl)3nitro1H124triazol5yl)sulfanyl)5methyl134thiadiazole
2((2((4chlorophenyl)methyl)5nitro124triazol3yl)sulfanyl)5methyl134thiadiazole
CC1=NN=C(S1)SC2=NC(=NN2CC3=CC=C(C=C3)Cl)(N+)(=O)(O)
Clc1ccc(cc1)Cn1nc(nc1Sc1nnc(s1)C)(N+)(=O)(O)
InChI=1SC12H9ClN6O2S2c17151612(227)23111410(19(20)21)1718(11)68249(13)538h25H6H21H3
MFCD11695946
ZINC000014608581
ZINC14608581
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