Vitas-M small molecule compound

3-nitrophenyl 3-chloro-1-benzothiophene-2-carboxylate

Catalog ID
STK003932
SMILES [O-][N+](=O)c1cccc(c1)OC(=O)c1sc2c(c1Cl)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 C15H8ClNO4S MW 333.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H8ClNO4S/c16-13-11-6-1-2-7-12(11)22-14(13)15(18)21-10-5-3-4-9(8-10)17(19)20/h1-8H
InChIKey
ZQFBTTHUHFXHCF-UHFFFAOYSA-N
Synonyms

(3NITROPHENYL)3CHLORANYL1BENZOTHIOPHENE2CARBOXYLATE
(3NITROPHENYL)3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
(O)(N+)(=O)c1cccc(c1)OC(=O)c1sc2c(c1Cl)cccc2
3CHLORO1BENZOTHIOPHENE2CARBOXYLICACID(3NITROPHENYL)ESTER
3CHLOROBENZOTHIOPHENE2CARBOXYLICACID(3NITROPHENYL)ESTER
3NITROPHENYL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
3NITROPHENYL3CHLOROBENZO(B)THIOPHENE2CARBOXYLATE
C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC15H8ClNO4Sc161311612712(11)2214(13)15(18)21105349(810)17(19)20h18H
MFCD02857073
STK003932
ZINC000000358485
ZINC00358485
ZINC358485

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Available files

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