Vitas-M small molecule compound
5-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1H-tetrazole
Catalog ID
STK743799
SMILES COc1ccccc1n1nnnc1SCc1cc2OCOc2cc1Br
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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 C16H13BrN4O3S MW 421.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4O3S/c1-22-13-5-3-2-4-12(13)21-16(18-19-20-21)25-8-10-6-14-15(7-11(10)17)24-9-23-14/h2-7H,8-9H2,1H3InChIKey
TWXLIYYAFZPYAA-UHFFFAOYSA-NSynonyms
5(((6bromo13benzodioxol5yl)methyl)sulfanyl)1(2methoxyphenyl)1Htetrazole
5(((6BROMO13BENZODIOXOL5YL)METHYL)THIO)1(2METHOXYPHENYL)1HTETRAZOLE
5((6BROMO13BENZODIOXOL5YL)METHYLSULFANYL)1(2METHOXYPHENYL)TETRAZOLE
5((6BROMO13BENZODIOXOL5YL)METHYLTHIO)1(2METHOXYPHENYL)TETRAZOLE
COC1=CC=CC=C1N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCO4
InChI=1SC16H13BrN4O3Sc12213532412(13)2116(18192021)2581061415(711(10)17)2492314h27H89H21H3
MFCD05858447
ZINC000001063465
ZINC01063465
ZINC1063465
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