Vitas-M small molecule compound
2-{3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1H-1,2,4-triazol-1-yl}-1,3-benzothiazole
Catalog ID
STK103360
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nn(c(n1)c1ccccc1)c1nc2c(s1)cccc2
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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 C22H15N5O2S2 MW 445.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N5O2S2/c28-27(29)17-12-10-15(11-13-17)14-30-21-24-20(16-6-2-1-3-7-16)26(25-21)22-23-18-8-4-5-9-19(18)31-22/h1-13H,14H2InChIKey
SKSLMQACAVYYGT-UHFFFAOYSA-NSynonyms
497247-97-9(O)(N+)(=O)c1ccc(cc1)CSc1nn(c(n1)c1ccccc1)c1nc2c(s1)cccc2
1BENZOTHIAZOL2YL3((4NITROPHENYL)METHYLTHIO)5PHENYL124TRIAZOLE
2(3((4NITROBENZYL)SULFANYL)5PHENYL1H124TRIAZOL1YL)13BENZOTHIAZOLE
2(3((4nitrobenzyl)thio)5phenyl1H124triazol1yl)benzo(d)thiazole
2(3((4NITROPHENYL)METHYLSULFANYL)5PHENYL124TRIAZOL1YL)13BENZOTHIAZOLE
497247979
C1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H15N5O2S2c2827(29)17121015(111317)1430212420(166213716)26(2521)222318845919(18)3122h113H14H2
MFCD03298222
ZINC000002289687
ZINC02289687
ZINC2289687
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