Vitas-M small molecule compound
ethyl 1-{[(2E)-2-{[(4-fluorophenyl)sulfonyl]imino}-2,3-dihydro-1,3-benzothiazol-6-yl]carbonyl}piperidine-4-carboxylate
Catalog ID
STK640954
SMILES CCOC(=O)C1CCN(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 C22H22FN3O5S2 MW 491.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O5S2/c1-2-31-21(28)14-9-11-26(12-10-14)20(27)15-3-8-18-19(13-15)32-22(24-18)25-33(29,30)17-6-4-16(23)5-7-17/h3-8,13-14H,2,9-12H2,1H3,(H,24,25)InChIKey
CDUZMOBODHEOJK-UHFFFAOYSA-NSynonyms
951948-18-8951948188
CCOC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccc(cc1)F)(nH)2
CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F
ethyl1(((2E)2(((4fluorophenyl)sulfonyl)imino)23dihydro13benzothiazol6yl)carbonyl)piperidine4carboxylate
ethyl1(2((4fluorophenyl)sulfonylamino)13benzothiazole6carbonyl)piperidine4carboxylate
InChI=1SC22H22FN3O5S2c123121(28)1491126(121014)20(27)15381819(1315)3222(2418)2533(2930)176416(23)5717h381314H2912H21H3(H2425)
MFCD18162505
ZINC000013690035
ZINC13690035
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