Vitas-M small molecule compound
4-nitrobenzyl (1,3-benzothiazol-2-ylsulfanyl)acetate
Catalog ID
STK858196
SMILES O=C(CSc1nc2c(s1)cccc2)OCc1ccc(cc1)[N+](=O)[O-]
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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 C16H12N2O4S2 MW 360.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O4S2/c19-15(22-9-11-5-7-12(8-6-11)18(20)21)10-23-16-17-13-3-1-2-4-14(13)24-16/h1-8H,9-10H2InChIKey
PQBCAJSLFFQQPL-UHFFFAOYSA-NSynonyms
324044-86-2(4NITROPHENYL)METHYL2(13BENZOTHIAZOL2YLSULFANYL)ACETATE
(4NITROPHENYL)METHYL2BENZOTHIAZOL2YLTHIOACETATE
(BENZOTHIAZOL2YLSULFANYL)ACETICACID4NITROBENZYLESTER
324044862
4nitrobenzyl(13benzothiazol2ylsulfanyl)acetate
4nitrobenzyl2(benzo(d)thiazol2ylthio)acetate
C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H12N2O4S2c1915(229115712(8611)18(20)21)1023161713312414(13)2416h18H910H2
MFCD01166118
O=C(CSc1nc2c(s1)cccc2)OCc1ccc(cc1)(N+)(=O)(O)
ZINC000002675151
ZINC02675151
ZINC2675151
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