Vitas-M small molecule compound

methyl 4-{5-[(2-methoxybenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoate

Catalog ID
STK842730
SMILES COC(=O)c1ccc(cc1)n1nnnc1SCc1ccccc1OC

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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 C17H16N4O3S MW 356.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3S/c1-23-15-6-4-3-5-13(15)11-25-17-18-19-20-21(17)14-9-7-12(8-10-14)16(22)24-2/h3-10H,11H2,1-2H3
InChIKey
QFCITOQUKIFZGA-UHFFFAOYSA-N
Synonyms
692266-13-0
692266130
COC1=CC=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC
InChI=1SC17H16N4O3Sc12315643513(15)11251718192021(17)149712(81014)16(22)242h310H11H212H3
methyl4(5((2methoxybenzyl)sulfanyl)1Htetrazol1yl)benzoate
methyl4(5((2methoxybenzyl)thio)1Htetrazol1yl)benzoate
METHYL4(5((2METHOXYPHENYL)METHYLSULFANYL)TETRAZOL1YL)BENZOATE
MFCD03668446
ZINC000002196408
ZINC02196408
ZINC2196408

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Available files

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