Vitas-M small molecule compound
3-[(2-chlorobenzyl)sulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazole
Catalog ID
STK257181
SMILES Clc1ccccc1CSc1nnc(n1C)c1ccc2c(c1)OCCO2
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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 C18H16ClN3O2S MW 373.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O2S/c1-22-17(12-6-7-15-16(10-12)24-9-8-23-15)20-21-18(22)25-11-13-4-2-3-5-14(13)19/h2-7,10H,8-9,11H2,1H3InChIKey
MTHKSAQAQHOFIG-UHFFFAOYSA-NSynonyms
3((2CHLOROBENZYL)SULFANYL)5(23DIHYDRO14BENZODIOXIN6YL)4METHYL4H124TRIAZOLE
3((2chlorophenyl)methylsulfanyl)5(23dihydro14benzodioxin6yl)4methyl124triazole
CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC4=C(C=C3)OCCO4
InChI=1SC18H16ClN3O2Sc12217(12671516(1012)24982315)202118(22)251113423514(13)19h2710H8911H21H3
MFCD08672381
ZINC000009356041
ZINC09356041
ZINC9356041
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