Vitas-M small molecule compound

4-benzyl-5-[3-chloro-4-(propan-2-yloxy)benzyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STL242745
SMILES CC(Oc1ccc(cc1Cl)Cc1nnc(n1Cc1ccccc1)S)C

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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 C19H20ClN3OS MW 373.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3OS/c1-13(2)24-17-9-8-15(10-16(17)20)11-18-21-22-19(25)23(18)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKey
FICOJZFXPZKVKH-UHFFFAOYSA-N
Synonyms
833432-94-3
4BENZYL3((3CHLORO4PROPAN2YLOXYPHENYL)METHYL)1H124TRIAZOLE5THIONE
4benzyl5(3chloro4(propan2yloxy)benzyl)4H124triazole3thiol
4BENZYL5(3CHLORO4ISOPROPOXYBENZYL)4H124TRIAZOLE3THIOL
833432943
CC(C)OC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl
InChI=1SC19H20ClN3OSc113(2)24179815(1016(17)20)1118212219(25)23(18)12146435714h31013H1112H212H3(H2225)
MFCD04010521
ZINC000005690087
ZINC5690087

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Available files

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