Vitas-M small molecule compound

5-(2-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK664252
SMILES C=CCn1c(S)nnc1c1ccc(cc1Cl)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 C12H12ClN3S MW 265.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3S/c1-3-6-16-11(14-15-12(16)17)9-5-4-8(2)7-10(9)13/h3-5,7H,1,6H2,2H3,(H,15,17)
InChIKey
LZLJBOBKQPCCCB-UHFFFAOYSA-N
Synonyms
857495-78-4
3(2chloro4methylphenyl)4prop2enyl1H124triazole5thione
4ALLYL5(2CHLORO4METHYLPHENYL)4H124TRIAZOL3THIOL
4ALLYL5(2CHLORO4METHYLPHENYL)4H124TRIAZOL3YLHYDROSULFIDE
4ALLYL5(2CHLORO4METHYLPHENYL)4H124TRIAZOLE3THIOL
5(2chloro4methylphenyl)4(prop2en1yl)4H124triazole3thiol
5(2CHLORO4METHYLPHENYL)4PROP2ENYL124TRIAZOLE3THIOL
857495784
CC1=CC(=C(C=C1)C2=NNC(=S)N2CC=C)Cl
InChI=1SC12H12ClN3Sc1361611(141512(16)17)9548(2)710(9)13h357H16H22H3(H1517)
MFCD06662296
ZINC000008306602
ZINC08306602
ZINC8306602

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Available files

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