Vitas-M small molecule compound

5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK059213
SMILES COc1ccc(cc1c1n[nH]c(=S)n1CC=C)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 C12H12ClN3OS MW 281.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3OS/c1-3-6-16-11(14-15-12(16)18)9-7-8(13)4-5-10(9)17-2/h3-5,7H,1,6H2,2H3,(H,15,18)
InChIKey
LXQKOJKJTSRPSW-UHFFFAOYSA-N
Synonyms
369396-84-9
3(5CHLORANYL2METHOXYPHENYL)4PROP2ENYL1H124TRIAZOLE5THIONE
3(5CHLORO2METHOXYPHENYL)4PROP2ENYL1H124TRIAZOLE5THIONE
369396849
4allyl3(5chloro2methoxyphenyl)1H124triazole5(4H)thione
4ALLYL3(5CHLORO2METHOXYPHENYL)1H124TRIAZOLE5THIONE
4ALLYL5(5CHLORO2METHOXYPHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
4ALLYL5(5CHLORO2METHOXYPHENYL)4H124TRIAZOLE3THIOL
4ALLYL5(5CHLORO2METHOXYPHENYL)4H124TRIAZOLE3THIOL95
5(5CHLORO2METHOXYPHENYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
5(5CHLORO2METHOXYPHENYL)4(PROP2EN1YL)24DIHYDRO3H124TRIAZOLE3THIONE
5(5CHLORO2METHOXYPHENYL)4(PROP2EN1YL)4H124TRIAZOLE3THIOL
5(5CHLORO2METHOXYPHENYL)4PROP2ENYL124TRIAZOLE3THIOL
COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC=C
COc1ccc(cc1c1n(nH)c(=S)n1CC=C)Cl
InChI=1SC12H12ClN3OSc1361611(141512(16)18)978(13)4510(9)172h357H16H22H3(H1518)
MFCD02924262
STK059213
ZINC18115738

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Available files

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