Vitas-M small molecule compound
5-[3-chloro-4-(propan-2-yloxy)benzyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK549981
SMILES CC(Oc1ccc(cc1Cl)Cc1nnc(n1c1ccccc1)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 C18H18ClN3OS MW 359.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3OS/c1-12(2)23-16-9-8-13(10-15(16)19)11-17-20-21-18(24)22(17)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)InChIKey
POXKYTHAEOLATH-UHFFFAOYSA-NSynonyms
692261-42-03((3CHLORO4PROPAN2YLOXYPHENYL)METHYL)4PHENYL1H124TRIAZOLE5THIONE
5(3CHLORO4(PROPAN2YLOXY)BENZYL)4PHENYL24DIHYDRO3H124TRIAZOLE3THIONE
5(3chloro4(propan2yloxy)benzyl)4phenyl4H124triazole3thiol
5(3chloro4isopropoxybenzyl)4phenyl4H124triazole3thiol
692261420
CC(C)OC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=CC=CC=C3)Cl
InChI=1SC18H18ClN3OSc112(2)23169813(1015(16)19)1117202118(24)22(17)146435714h31012H11H212H3(H2124)
MFCD03627842
ZINC000005563433
ZINC5563433
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