Vitas-M small molecule compound
methyl 1-{[(2E)-2-{[(4-chlorophenyl)sulfonyl]imino}-2,3-dihydro-1,3-benzothiazol-6-yl]carbonyl}piperidine-4-carboxylate
Catalog ID
STK633358
SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccc(cc1)Cl)/[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 C21H20ClN3O5S2 MW 493.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O5S2/c1-30-20(27)13-8-10-25(11-9-13)19(26)14-2-7-17-18(12-14)31-21(23-17)24-32(28,29)16-5-3-15(22)4-6-16/h2-7,12-13H,8-11H2,1H3,(H,23,24)InChIKey
SSMDKZROLPJOKY-UHFFFAOYSA-NSynonyms
951978-25-9951978259
COC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccc(cc1)Cl)(nH)2
COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H20ClN3O5S2c13020(27)1381025(11913)19(26)14271718(1214)3121(2317)2432(2829)165315(22)4616h271213H811H21H3(H2324)
methyl1(((2E)2(((4chlorophenyl)sulfonyl)imino)23dihydro13benzothiazol6yl)carbonyl)piperidine4carboxylate
methyl1(2((4chlorophenyl)sulfonylamino)13benzothiazole6carbonyl)piperidine4carboxylate
MFCD18160074
ZINC000013719439
ZINC13719439
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