Vitas-M small molecule compound

4-{[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one

Catalog ID
STK737247
SMILES O=C1Nc2ccccc2N(C1)C(=O)CSc1nnnn1Cc1ccccc1

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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 C18H16N6O2S MW 380.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O2S/c25-16-11-23(15-9-5-4-8-14(15)19-16)17(26)12-27-18-20-21-22-24(18)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,25)
InChIKey
XCDBNRUDOGMKGY-UHFFFAOYSA-N
Synonyms

4(((1benzyl1Htetrazol5yl)sulfanyl)acetyl)34dihydroquinoxalin2(1H)one
4(2(1BENZYLTETRAZOL5YL)SULFANYLACETYL)13DIHYDROQUINOXALIN2ONE
C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=NN3CC4=CC=CC=C4
InChI=1SC18H16N6O2Sc25161123(15954814(15)1916)17(26)12271820212224(18)10136213713h19H1012H2(H1925)
MFCD06016521
ZINC000004727424
ZINC04727424
ZINC4727424

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Available files

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