Vitas-M small molecule compound

2-(methylsulfanyl)-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1,3-benzothiazole-6-sulfonamide

Catalog ID
STK226859
SMILES CSc1nc2c(s1)cc(cc2)S(=O)(=O)Nc1ccc2c(c1)COC2=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 C16H12N2O4S3 MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O4S3/c1-23-16-17-13-5-3-11(7-14(13)24-16)25(20,21)18-10-2-4-12-9(6-10)8-22-15(12)19/h2-7,18H,8H2,1H3
InChIKey
QWKNFBYBTCUALA-UHFFFAOYSA-N
Synonyms

2(methylsulfanyl)N(1oxo13dihydro2benzofuran5yl)13benzothiazole6sulfonamide
2methylsulfanylN(1oxo3H2benzofuran5yl)13benzothiazole6sulfonamide
5(((2METHYLTHIOBENZOTHIAZOL6YL)SULFONYL)AMINO)3HYDROISOBENZOFURAN1ONE
CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)C(=O)OC4
InChI=1SC16H12N2O4S3c1231617135311(714(13)2416)25(2021)181024129(610)82215(12)19h2718H8H21H3
MFCD03768504
ZINC000001060024
ZINC01060024
ZINC1060024

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Available files

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