Vitas-M small molecule compound
(3aR,6S,7aS)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3-(prop-1-en-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL564996
SMILES CC(=C)C1N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@@]31C=C[C@@H](O3)C2C(=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 C20H19NO6 MW 369.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO6/c1-10(2)17-20-6-5-13(27-20)15(19(23)24)16(20)18(22)21(17)8-11-3-4-12-14(7-11)26-9-25-12/h3-7,13,15-17H,1,8-9H2,2H3,(H,23,24)/t13-,15?,16+,17?,20+/m0/s1InChIKey
LHVKGGUBSWIYNP-NXOOAULQSA-NSynonyms
957005-03-7(1R5S7S)3(13benzodioxol5ylmethyl)4oxo2prop1en2yl10oxa3azatricyclo(521015)dec8ene6carboxylicacid
(3aR6S7aS)2(13benzodioxol5ylmethyl)1oxo3(prop1en2yl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
(3aR6S7aS)2(benzo(d)(13)dioxol5ylmethyl)1oxo3(prop1en2yl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
16398526
957005037
CC(=C)C1N(Cc2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@@)31C=C(C@H)(O3)C2C(=O)O
InChI=1SC20H19NO6c110(2)17206513(2720)15(19(23)24)16(20)18(22)21(17)811341214(711)2692512h37131517H189H22H3(H2324)t1315?16+17?20+m0s1
MFCD03850129
ZINC000004044720
ZINC000004044726
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