Vitas-M small molecule compound

5-(5-chloro-2-methoxyphenyl)-4-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK639839
SMILES COc1ccc(cc1c1n[nH]c(=S)n1c1ccc(cc1)Cn1cncn1)Cl

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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 C18H15ClN6OS MW 398.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN6OS/c1-26-16-7-4-13(19)8-15(16)17-22-23-18(27)25(17)14-5-2-12(3-6-14)9-24-11-20-10-21-24/h2-8,10-11H,9H2,1H3,(H,23,27)
InChIKey
VROGTBIRUKWURW-UHFFFAOYSA-N
Synonyms
1081143-90-9
1081143909
3(5chloro2methoxyphenyl)4(4(124triazol1ylmethyl)phenyl)1H124triazole5thione
5(5chloro2methoxyphenyl)4(4(1H124triazol1ylmethyl)phenyl)24dihydro3H124triazole3thione
COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2C3=CC=C(C=C3)CN4C=NC=N4
COc1ccc(cc1c1n(nH)c(=S)n1c1ccc(cc1)Cn1cncn1)Cl
InChI=1SC18H15ClN6OSc126167413(19)815(16)17222318(27)25(17)145212(3614)9241120102124h281011H9H21H3(H2327)
MFCD18162138
ZINC000020745174
ZINC20745174

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Available files

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