Vitas-M small molecule compound

1-(1,2-dimethyl-1H-indol-3-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Catalog ID
STK238703
SMILES O=C(c1c2ccccc2n(c1C)C)CSc1ncn(n1)c1ccccc1

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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 C20H18N4OS MW 362.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4OS/c1-14-19(16-10-6-7-11-17(16)23(14)2)18(25)12-26-20-21-13-24(22-20)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
InChIKey
PFWXHTRRAAFRKS-UHFFFAOYSA-N
Synonyms

1(12dimethyl1Hindol3yl)2((1phenyl1H124triazol3yl)sulfanyl)ethanone
1(12DIMETHYLINDOL3YL)2((1PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
CC1=C(C2=CC=CC=C2N1C)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4
InChI=1SC20H18N4OSc11419(1610671117(16)23(14)2)18(25)122620211324(2220)158435915h31113H12H212H3
MFCD07791965
ZINC000004999352
ZINC04999352
ZINC4999352

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Available files

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