Vitas-M small molecule compound
ethyl 1-{[2-(5-methoxy-1,3-benzothiazol-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl]carbonyl}piperidine-4-carboxylate
Catalog ID
STL058410
SMILES CCOC(=O)C1CCN(CC1)C(=O)C1C2C=CC3(C1C(=O)N(C3)c1nc3c(s1)ccc(c3)OC)O2
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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 C25H27N3O6S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6S/c1-3-33-23(31)14-7-10-27(11-8-14)21(29)19-17-6-9-25(34-17)13-28(22(30)20(19)25)24-26-16-12-15(32-2)4-5-18(16)35-24/h4-6,9,12,14,17,19-20H,3,7-8,10-11,13H2,1-2H3InChIKey
SSFUJXVYTPCDRT-UHFFFAOYSA-NSynonyms
CCOC(=O)(C@@H)1CCN(CC1)C(=O)(C@H)1(C@@H)2C=C(C@)3((C@@H)1C(=O)N(C3)c1nc3c(s1)ccc(c3)OC)O2
CCOC(=O)C1CCN(CC1)C(=O)C2C3C=CC4(C2C(=O)N(C4)C5=NC6=C(S5)C=CC(=C6)OC)O3
ethyl1((2(5methoxy13benzothiazol2yl)1oxo123677ahexahydro3a6epoxyisoindol7yl)carbonyl)piperidine4carboxylate
ethyl1((6R)2(5methoxybenzo(d)thiazol2yl)1oxo123677ahexahydro3a6epoxyisoindole7carbonyl)piperidine4carboxylate
InChI=1SC25H27N3O6Sc133323(31)1471027(11814)21(29)19176925(3417)1328(22(30)20(19)25)2426161215(322)4518(16)3524h4691214171920H378101113H212H3
MFCD08291650
ZINC000217696839
ZINC000227250208
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