Vitas-M small molecule compound

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

Catalog ID
STL342057
SMILES COc1cccc(c1)c1nnc(n1N)SCc1ccc(cc1)C#N

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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 C17H15N5OS MW 337.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5OS/c1-23-15-4-2-3-14(9-15)16-20-21-17(22(16)19)24-11-13-7-5-12(10-18)6-8-13/h2-9H,11,19H2,1H3
InChIKey
GGXNZTTXYURTLD-UHFFFAOYSA-N
Synonyms
587002-44-6
4(((4amino5(3methoxyphenyl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4(((4amino5(3methoxyphenyl)4H124triazol3yl)thio)methyl)benzonitrile
4((4AMINO5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
4((4AMINO5(3METHOXYPHENYL)124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
587002446
COC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N
InChI=1SC17H15N5OSc1231542314(915)16202117(22(16)19)2411137512(1018)6813h29H1119H21H3
MFCD04032261
ZINC000000533045
ZINC00533045
ZINC533045

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Available files

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