Vitas-M small molecule compound
ethyl 1-({(2E)-2-[(phenylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazol-6-yl}carbonyl)piperidine-3-carboxylate
Catalog ID
STK644522
SMILES CCOC(=O)C1CCCN(C1)C(=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 C22H23N3O5S2 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S2/c1-2-30-21(27)16-7-6-12-25(14-16)20(26)15-10-11-18-19(13-15)31-22(23-18)24-32(28,29)17-8-4-3-5-9-17/h3-5,8-11,13,16H,2,6-7,12,14H2,1H3,(H,23,24)InChIKey
IDGPJBALRHZVPP-UHFFFAOYSA-NSynonyms
1010918-93-01010918930
CCOC(=O)C1CCCN(C1)C(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccccc1)(nH)2
CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4
ethyl1(((2E)2((phenylsulfonyl)imino)23dihydro13benzothiazol6yl)carbonyl)piperidine3carboxylate
ethyl1(2(benzenesulfonamido)13benzothiazole6carbonyl)piperidine3carboxylate
InChI=1SC22H23N3O5S2c123021(27)16761225(1416)20(26)1510111819(1315)3122(2318)2432(2829)178435917h358111316H2671214H21H3(H2324)
MFCD18163645
ZINC000012324121
ZINC000012324122
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