Vitas-M small molecule compound
3-[(2-chloro-6-nitrobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
Catalog ID
STK244452
SMILES COc1ccc(cc1)c1nnc(n1C)SCc1c(Cl)cccc1[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 C17H15ClN4O3S MW 390.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4O3S/c1-21-16(11-6-8-12(25-2)9-7-11)19-20-17(21)26-10-13-14(18)4-3-5-15(13)22(23)24/h3-9H,10H2,1-2H3InChIKey
LHRFJBCDBDAQSI-UHFFFAOYSA-NSynonyms
3((2chloro6nitrobenzyl)sulfanyl)5(4methoxyphenyl)4methyl4H124triazole
3((2CHLORO6NITROPHENYL)METHYLSULFANYL)5(4METHOXYPHENYL)4METHYL124TRIAZOLE
CN1C(=NN=C1SCC2=C(C=CC=C2Cl)(N+)(=O)(O))C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1C)SCc1c(Cl)cccc1(N+)(=O)(O)
InChI=1SC17H15ClN4O3Sc12116(116812(252)9711)192017(21)26101314(18)43515(13)22(23)24h39H10H212H3
MFCD07357806
ZINC000005065642
ZINC05065642
ZINC5065642
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