Vitas-M small molecule compound
ethyl 1-{[(2E)-2-(acetylimino)-2,3-dihydro-1,3-benzothiazol-6-yl]carbonyl}piperidine-3-carboxylate
Catalog ID
STK642710
SMILES CCOC(=O)C1CCCN(C1)C(=O)c1ccc2c(c1)s/c(=N/C(=O)C)/[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 C18H21N3O4S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S/c1-3-25-17(24)13-5-4-8-21(10-13)16(23)12-6-7-14-15(9-12)26-18(20-14)19-11(2)22/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,19,20,22)InChIKey
KFHQSKQBFUDRFJ-UHFFFAOYSA-NSynonyms
1010928-23-01010928230
CCOC(=O)C1CCCN(C1)C(=O)c1ccc2c(c1)sc(=NC(=O)C)(nH)2
CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C
ethyl1(((2E)2(acetylimino)23dihydro13benzothiazol6yl)carbonyl)piperidine3carboxylate
ethyl1(2acetamido13benzothiazole6carbonyl)piperidine3carboxylate
InChI=1SC18H21N3O4Sc132517(24)1354821(1013)16(23)12671415(912)2618(2014)1911(2)22h67913H35810H212H3(H192022)
MFCD18163066
ZINC000012390570
ZINC000012390571
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