Vitas-M small molecule compound

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

Catalog ID
STK039890
SMILES N#Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

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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 C21H14BrN5S MW 448.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN5S/c22-18-5-7-19(8-6-18)27-20(17-9-11-24-12-10-17)25-26-21(27)28-14-16-3-1-15(13-23)2-4-16/h1-12H,14H2
InChIKey
LOPVJMSFQKBHKZ-UHFFFAOYSA-N
Synonyms
477333-08-7
4(((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
4(((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)METHYL)BENZONITRILE
4((4(4BROMOPHENYL)5(4PYRIDYL)124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
4((4(4BROMOPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
477333087
C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)C#N
InChI=1SC21H14BrN5Sc22185719(8618)2720(1791124121017)252621(27)2814163115(1323)2416h112H14H2
MFCD03474491
N#Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
STK039890
ZINC000001120972
ZINC01120972
ZINC1120972

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.