Vitas-M small molecule compound

ethyl 4-{[(2E)-2-{[(4-fluorophenyl)sulfonyl]imino}-2,3-dihydro-1,3-benzothiazol-6-yl]carbonyl}piperazine-1-carboxylate

Catalog ID
STK618607
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccc(cc1)F)/[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 C21H21FN4O5S2 MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O5S2/c1-2-31-21(28)26-11-9-25(10-12-26)19(27)14-3-8-17-18(13-14)32-20(23-17)24-33(29,30)16-6-4-15(22)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,23,24)
InChIKey
SCJTYUQKNSVRHL-UHFFFAOYSA-N
Synonyms
951932-91-5
951932915
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccc(cc1)F)(nH)2
CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F
ethyl4(((2E)2(((4fluorophenyl)sulfonyl)imino)23dihydro13benzothiazol6yl)carbonyl)piperazine1carboxylate
ethyl4(2((4fluorophenyl)sulfonylamino)13benzothiazole6carbonyl)piperazine1carboxylate
InChI=1SC21H21FN4O5S2c123121(28)2611925(101226)19(27)14381718(1314)3220(2317)2433(2930)166415(22)5716h3813H2912H21H3(H2324)
MFCD18158765
ZINC000013690874
ZINC13690874

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Available files

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