Vitas-M small molecule compound

4-({[4-amino-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

Catalog ID
STL341390
SMILES N#Cc1ccc(cc1)CSc1nnc(n1N)c1ccccc1C

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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 C17H15N5S MW 321.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5S/c1-12-4-2-3-5-15(12)16-20-21-17(22(16)19)23-11-14-8-6-13(10-18)7-9-14/h2-9H,11,19H2,1H3
InChIKey
PARANKOJNSZQSI-UHFFFAOYSA-N
Synonyms
577787-57-6
4(((4amino5(2methylphenyl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4(((4amino5(otolyl)4H124triazol3yl)thio)methyl)benzonitrile
4((4AMINO5(2METHYLPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
4((4AMINO5(2METHYLPHENYL)124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
577787576
CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N
InChI=1SC17H15N5Sc112423515(12)16202117(22(16)19)2311148613(1018)7914h29H1119H21H3
MFCD04027027
ZINC000000531694
ZINC00531694
ZINC531694

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Available files

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