Vitas-M small molecule compound

ethyl 3-[({(2E)-2-[(phenylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazol-6-yl}carbonyl)amino]benzoate

Catalog ID
STK629748
SMILES CCOC(=O)c1cccc(c1)NC(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccccc1)/[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 C23H19N3O5S2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S2/c1-2-31-22(28)16-7-6-8-17(13-16)24-21(27)15-11-12-19-20(14-15)32-23(25-19)26-33(29,30)18-9-4-3-5-10-18/h3-14H,2H2,1H3,(H,24,27)(H,25,26)
InChIKey
NDGVNBLIOOBUCK-UHFFFAOYSA-N
Synonyms
929845-75-0
929845750
CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4
CCOC(=O)c1cccc(c1)NC(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccccc1)(nH)2
ethyl3((((2E)2((phenylsulfonyl)imino)23dihydro13benzothiazol6yl)carbonyl)amino)benzoate
ethyl3((2(benzenesulfonamido)13benzothiazole6carbonyl)amino)benzoate
InChI=1SC23H19N3O5S2c123122(28)1676817(1316)2421(27)1511121920(1415)3223(2519)2633(2930)1894351018h314H2H21H3(H2427)(H2526)
MFCD09796857
ZINC000009421832
ZINC09421832
ZINC9421832

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Available files

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