Vitas-M small molecule compound

2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl 4-methylbenzoate

Catalog ID
STL287251
SMILES COc1ccccc1N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(cc1)C

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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 C24H22N2O5S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5S/c1-17-11-13-18(14-12-17)24(27)31-16-15-26(20-8-4-5-9-21(20)30-2)23-19-7-3-6-10-22(19)32(28,29)25-23/h3-14H,15-16H2,1-2H3
InChIKey
LGIVNTKTAUCGRI-UHFFFAOYSA-N
Synonyms

2((11dioxido12benzothiazol3yl)(2methoxyphenyl)amino)ethyl4methylbenzoate
2(N(11DIOXO12BENZOTHIAZOL3YL)2METHOXYANILINO)ETHYL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OCCN(C2=CC=CC=C2OC)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC24H22N2O5Sc117111318(141217)24(27)31161526(20845921(20)302)23197361022(19)32(2829)2523h314H1516H212H3
MFCD02039696
ZINC000001184674
ZINC01184674
ZINC1184674

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Available files

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