Vitas-M small molecule compound

ethyl 3-(4-methylphenyl)-3-{[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]amino}propanoate

Catalog ID
STK779888
SMILES CCOC(=O)CC(c1ccc(cc1)C)NS(=O)(=O)c1ccc2c(c1)sc(=O)[nH]2

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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 C19H20N2O5S2 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5S2/c1-3-26-18(22)11-16(13-6-4-12(2)5-7-13)21-28(24,25)14-8-9-15-17(10-14)27-19(23)20-15/h4-10,16,21H,3,11H2,1-2H3,(H,20,23)
InChIKey
RINYUHZAFGZGRY-UHFFFAOYSA-N
Synonyms

CCOC(=O)CC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3
CCOC(=O)CC(c1ccc(cc1)C)NS(=O)(=O)c1ccc2c(c1)sc(=O)(nH)2
ethyl3(4methylphenyl)3(((2oxo23dihydro13benzothiazol6yl)sulfonyl)amino)propanoate
ETHYL3(4METHYLPHENYL)3((2OXO3H13BENZOTHIAZOL6YL)SULFONYLAMINO)PROPANOATE
InChI=1SC19H20N2O5S2c132618(22)1116(136412(2)5713)2128(2425)14891517(1014)2719(23)2015h4101621H311H212H3(H2023)
MFCD05859430
ZINC000012413179
ZINC000012413180

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Available files

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