Vitas-M small molecule compound

(2Z)-N-[3-(acetylamino)phenyl]-2-{[(4-methoxyphenyl)sulfonyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxamide

Catalog ID
STK622338
SMILES COc1ccc(cc1)S(=O)(=O)/N=c/1\sc2c([nH]1)ccc(c2)C(=O)Nc1cccc(c1)NC(=O)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 C23H20N4O5S2 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S2/c1-14(28)24-16-4-3-5-17(13-16)25-22(29)15-6-11-20-21(12-15)33-23(26-20)27-34(30,31)19-9-7-18(32-2)8-10-19/h3-13H,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKey
IBYHEUQGEJLQMM-UHFFFAOYSA-N
Synonyms
951964-51-5
(2Z)N(3(acetylamino)phenyl)2(((4methoxyphenyl)sulfonyl)imino)23dihydro13benzothiazole6carboxamide
951964515
CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)S(=O)(=O)N=c1sc2c((nH)1)ccc(c2)C(=O)Nc1cccc(c1)NC(=O)C
InChI=1SC23H20N4O5S2c114(28)241643517(1316)2522(29)156112021(1215)3323(2620)2734(3031)199718(322)81019h313H12H3(H2428)(H2529)(H2627)
MFCD18158959
N(3acetamidophenyl)2((4methoxyphenyl)sulfonylamino)13benzothiazole6carboxamide
ZINC000013728643
ZINC13728643

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Available files

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