Vitas-M small molecule compound
[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl](phenyl)methanone
Catalog ID
STK723616
SMILES [O-][N+](=O)c1ccc(c(c1)C(=O)c1ccccc1)Sc1nc2c(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 C20H12N2O3S2 MW 392.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O3S2/c23-19(13-6-2-1-3-7-13)15-12-14(22(24)25)10-11-17(15)26-20-21-16-8-4-5-9-18(16)27-20/h1-12HInChIKey
XTKFUSLGVHGLJS-UHFFFAOYSA-NSynonyms
(2(13benzothiazol2ylsulfanyl)5nitrophenyl)(phenyl)methanone
(2(13BENZOTHIAZOL2YLSULFANYL)5NITROPHENYL)PHENYLMETHANONE
(O)(N+)(=O)c1ccc(c(c1)C(=O)c1ccccc1)Sc1nc2c(s1)cccc2
2BENZOTHIAZOL2YLTHIO5NITROPHENYLPHENYLKETONE
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)(N+)(=O)(O))SC3=NC4=CC=CC=C4S3
InChI=1SC20H12N2O3S2c2319(136213713)151214(22(24)25)101117(15)26202116845918(16)2720h112H
MFCD05854800
ZINC000002866295
ZINC02866295
ZINC2866295
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