Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-1-oxo-N-(1,3-thiazol-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL350231
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)Nc1nccs1
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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 C19H15N3O5S MW 397.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O5S/c23-16(21-18-20-5-6-28-18)14-12-3-4-19(27-12)8-22(17(24)15(14)19)10-1-2-11-13(7-10)26-9-25-11/h1-7,12,14-15H,8-9H2,(H,20,21,23)InChIKey
XUJJEWZIAQHWSJ-UHFFFAOYSA-NSynonyms
(3aS6R)2(benzo(d)(13)dioxol5yl)1oxoN(thiazol2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
2(13benzodioxol5yl)1oxoN(13thiazol2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
C1C23C=CC(O2)C(C3C(=O)N1C4=CC5=C(C=C4)OCO5)C(=O)NC6=NC=CS6
InChI=1SC19H15N3O5Sc2316(211820562818)14123419(2712)822(17(24)15(14)19)10121113(710)2692511h17121415H89H2(H202123)
MFCD08749451
O=C((C@H)1(C@@H)2C=C(C@)3((C@@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)Nc1nccs1
ZINC000101360232
ZINC000245240507
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