Vitas-M small molecule compound
2-(5-methoxy-1,3-benzothiazol-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK592979
SMILES COc1ccc2c(c1)nc(s2)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)O
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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 C17H14N2O5S MW 358.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5S/c1-23-8-2-3-11-9(6-8)18-16(25-11)19-7-17-5-4-10(24-17)12(15(21)22)13(17)14(19)20/h2-6,10,12-13H,7H2,1H3,(H,21,22)InChIKey
ZTKYSQQEFVALOZ-UHFFFAOYSA-NSynonyms
1212194-86-9(3aS6R)2(5methoxybenzo(d)thiazol2yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1212194869
2(5methoxy13benzothiazol2yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
COC1=CC2=C(C=C1)SC(=N2)N3CC45C=CC(O4)C(C5C3=O)C(=O)O
COc1ccc2c(c1)nc(s2)N1C(C@@)23C(C1=O)C((C@H)(O3)C=C2)C(=O)O
InChI=1SC17H14N2O5Sc123823119(68)1816(2511)197175410(2417)12(15(21)22)13(17)14(19)20h26101213H7H21H3(H2122)
MFCD06787077
ZINC000003882695
ZINC000003882698
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