Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-5-(2-chloro-6-fluorobenzyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444062
SMILES Sc1nnc(n1c1ccc2c(c1)OCO2)Cc1c(F)cccc1Cl

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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 C16H11ClFN3O2S MW 363.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClFN3O2S/c17-11-2-1-3-12(18)10(11)7-15-19-20-16(24)21(15)9-4-5-13-14(6-9)23-8-22-13/h1-6H,7-8H2,(H,20,24)
InChIKey
NHXQLUDGOYGQDS-UHFFFAOYSA-N
Synonyms

4(13benzodioxol5yl)3((2chloro6fluorophenyl)methyl)1H124triazole5thione
4(13benzodioxol5yl)5(2chloro6fluorobenzyl)4H124triazole3thiol
4(2HBENZO(34D)13DIOXOLAN5YL)5((6CHLORO2FLUOROPHENYL)METHYL)124TRIAZOLE3THIOL
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CC4=C(C=CC=C4Cl)F
InChI=1SC16H11ClFN3O2Sc171121312(18)10(11)715192016(24)21(15)9451314(69)2382213h16H78H2(H2024)
MFCD04055257
ZINC000006828623
ZINC06828623
ZINC6828623

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Available files

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