Vitas-M small molecule compound

2-nitrophenyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate

Catalog ID
STK031987
SMILES COc1ccc2c(c1)sc(c2Cl)C(=O)Oc1ccccc1[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 C16H10ClNO5S MW 363.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClNO5S/c1-22-9-6-7-10-13(8-9)24-15(14(10)17)16(19)23-12-5-3-2-4-11(12)18(20)21/h2-8H,1H3
InChIKey
VMDLNRLPRKOTFJ-UHFFFAOYSA-N
Synonyms
496034-14-1
(2NITROPHENYL)3CHLORANYL6METHOXY1BENZOTHIOPHENE2CARBOXYLATE
(2NITROPHENYL)3CHLORO6METHOXY1BENZOTHIOPHENE2CARBOXYLATE
2NITROPHENYL3CHLORO6METHOXY1BENZOTHIOPHENE2CARBOXYLATE
3CHLORO6METHOXY1BENZOTHIOPHENE2CARBOXYLICACID(2NITROPHENYL)ESTER
3CHLORO6METHOXYBENZOTHIOPHENE2CARBOXYLICACID(2NITROPHENYL)ESTER
496034141
COC1=CC2=C(C=C1)C(=C(S2)C(=O)OC3=CC=CC=C3(N+)(=O)(O))Cl
COc1ccc2c(c1)sc(c2Cl)C(=O)Oc1ccccc1(N+)(=O)(O)
InChI=1SC16H10ClNO5Sc1229671013(89)2415(14(10)17)16(19)2312532411(12)18(20)21h28H1H3
MFCD03193930
STK031987
ZINC000000674845
ZINC00674845
ZINC674845

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Available files

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