Vitas-M small molecule compound

5-[5-methyl-4-(4-methylphenyl)thiophen-3-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK465219
SMILES C=CCn1c(S)nnc1c1csc(c1c1ccc(cc1)C)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 C17H17N3S2 MW 327.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3S2/c1-4-9-20-16(18-19-17(20)21)14-10-22-12(3)15(14)13-7-5-11(2)6-8-13/h4-8,10H,1,9H2,2-3H3,(H,19,21)
InChIKey
MXKJVJHYAGCBER-UHFFFAOYSA-N
Synonyms
777879-45-5
3(5methyl4(4methylphenyl)thiophen3yl)4prop2enyl1H124triazole5thione
4ALLYL5(5METHYL4(4METHYLPHENYL)THIEN3YL)4H124TRIAZOLE3THIOL
5(5METHYL4(4METHYLPHENYL)(3THIENYL))4PROP2ENYL124TRIAZOLE3THIOL
5(5METHYL4(4METHYLPHENYL)THIOPHEN3YL)4(PROP2EN1YL)124TRIAZOLE3THIOL
5(5methyl4(4methylphenyl)thiophen3yl)4(prop2en1yl)4H124triazole3thiol
777879455
CC1=CC=C(C=C1)C2=C(SC=C2C3=NNC(=S)N3CC=C)C
InChI=1SC17H17N3S2c1492016(181917(20)21)14102212(3)15(14)137511(2)6813h4810H19H223H3(H1921)
MFCD06758169
ZINC000017067127
ZINC17067127

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Available files

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