Vitas-M small molecule compound

5-[(4-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK891254
SMILES Clc1ccc(cc1)OCc1nnc(n1C(C)C)S

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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 C12H14ClN3OS MW 283.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClN3OS/c1-8(2)16-11(14-15-12(16)18)7-17-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKey
IDCHDQLLZADMMD-UHFFFAOYSA-N
Synonyms
942876-07-5
3((4chlorophenoxy)methyl)4propan2yl1H124triazole5thione
5((4chlorophenoxy)methyl)4(propan2yl)4H124triazole3thiol
942876075
CC(C)N1C(=NNC1=S)COC2=CC=C(C=C2)Cl
InChI=1SC12H14ClN3OSc18(2)1611(141512(16)18)71710539(13)4610h368H7H212H3(H1518)
MFCD10423199
ZINC000012923156
ZINC12923156

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Available files

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