Vitas-M small molecule compound

3-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-(propan-2-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole

Catalog ID
STK465153
SMILES Fc1ccc(c(c1)Cl)CSc1nnc(n1C(C)C)c1csc2c1CCCC2

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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 C20H21ClFN3S2 MW 421.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClFN3S2/c1-12(2)25-19(16-11-26-18-6-4-3-5-15(16)18)23-24-20(25)27-10-13-7-8-14(22)9-17(13)21/h7-9,11-12H,3-6,10H2,1-2H3
InChIKey
PCPMLNFVCHKSSW-UHFFFAOYSA-N
Synonyms

3((2chloro4fluorobenzyl)sulfanyl)4(propan2yl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
3((2chloro4fluorophenyl)methylsulfanyl)4propan2yl5(4567tetrahydro1benzothiophen3yl)124triazole
CC(C)N1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C3=CSC4=C3CCCC4
InChI=1SC20H21ClFN3S2c112(2)2519(16112618643515(16)18)232420(25)2710137814(22)917(13)21h791112H3610H212H3
MFCD06189779
ZINC000017092867
ZINC17092867

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Available files

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