Vitas-M small molecule compound
ethyl 4-{[(3aS,6R)-2-(5-methoxy-1,3-benzothiazol-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl]carbonyl}piperazine-1-carboxylate
Catalog ID
STK607922
SMILES CCOC(=O)N1CCN(CC1)C(=O)C1[C@@H]2C=C[C@@]3(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 C24H26N4O6S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O6S/c1-3-33-23(31)27-10-8-26(9-11-27)20(29)18-16-6-7-24(34-16)13-28(21(30)19(18)24)22-25-15-12-14(32-2)4-5-17(15)35-22/h4-7,12,16,18-19H,3,8-11,13H2,1-2H3/t16-,18?,19?,24-/m1/s1InChIKey
BPQLHNFWBGIOHV-PSXZMNDZSA-NSynonyms
CCOC(=O)N1CCN(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)N1CCN(CC1)C(=O)C1(C@@H)2C=C(C@@)3(C1C(=O)N(C3)c1nc3c(s1)ccc(c3)OC)O2
ethyl4(((3aS6R)2(5methoxy13benzothiazol2yl)1oxo123677ahexahydro3a6epoxyisoindol7yl)carbonyl)piperazine1carboxylate
ethyl4((6R)2(5methoxybenzo(d)thiazol2yl)1oxo123677ahexahydro3a6epoxyisoindole7carbonyl)piperazine1carboxylate
MFCD18246229
ZINC000015905486
ZINC000015905492
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