Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-N-(1,3-thiazol-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL350073
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)Cc1ccc3c(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 C20H17N3O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S/c24-17(22-19-21-5-6-29-19)15-13-3-4-20(28-13)9-23(18(25)16(15)20)8-11-1-2-12-14(7-11)27-10-26-12/h1-7,13,15-16H,8-10H2,(H,21,22,24)InChIKey
FSAQPVVOTUFKIP-UHFFFAOYSA-NSynonyms
1212489-86-5(3aS6R)2(benzo(d)(13)dioxol5ylmethyl)1oxoN(thiazol2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
1212489865
2(13benzodioxol5ylmethyl)1oxoN(13thiazol2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
C1C23C=CC(O2)C(C3C(=O)N1CC4=CC5=C(C=C4)OCO5)C(=O)NC6=NC=CS6
InChI=1SC20H17N3O5Sc2417(221921562919)15133420(2813)923(18(25)16(15)20)811121214(711)27102612h17131516H810H2(H212224)
MFCD08746644
O=C((C@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2)Nc1nccs1
ZINC000101360271
ZINC000245239849
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