Vitas-M small molecule compound

2-(3-nitrophenyl)-1,3-benzothiazole

Catalog ID
STK058805
SMILES [O-][N+](=O)c1cccc(c1)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 C13H8N2O2S MW 256.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N2O2S/c16-15(17)10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)18-13/h1-8H
InChIKey
QNYLRZBOTOWMAE-UHFFFAOYSA-N
Synonyms
22868-33-3
(O)(N+)(=O)c1cccc(c1)c1nc2c(s1)cccc2
2(3NITROPHENYL)13BENZOTHIAZOLE
2(3NITROPHENYL)BENZO(D)THIAZOLE
2(3NITROPHENYL)BENZOTHIAZOLE
22868333
C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC13H8N2O2Sc1615(17)105349(810)131411612712(11)1813h18H
MFCD00937703
STK058805
ZINC000000019641
ZINC00019641
ZINC19641

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Available files

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