Vitas-M small molecule compound
(3aS,6R,7aR)-2-(3-methoxyphenyl)-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK619672
SMILES COc1cccc(c1)N1C(=O)[C@H]2[C@]3(C1CC(=C)C)C=C[C@@H](C2C(=O)O)O3
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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 C20H21NO5 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5/c1-11(2)9-15-20-8-7-14(26-20)16(19(23)24)17(20)18(22)21(15)12-5-4-6-13(10-12)25-3/h4-8,10,14-17H,1,9H2,2-3H3,(H,23,24)/t14-,15?,16?,17+,20-/m1/s1InChIKey
NAMJXTOLLRLBNM-RKROSOFCSA-NSynonyms
1164456-29-4(3aS6R7aR)2(3methoxyphenyl)3(2methylallyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
(3aS6R7aR)2(3methoxyphenyl)3(2methylprop2en1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1164456294
CC(=C)CC1C23C=CC(O2)C(C3C(=O)N1C4=CC(=CC=C4)OC)C(=O)O
COc1cccc(c1)N1C(=O)(C@H)2(C@)3(C1CC(=C)C)C=C(C@@H)(C2C(=O)O)O3
COc1cccc(c1)N1C(=O)(C@H)2(C@)3(C1CC(=C)C)C=C(C@H)(C2C(=O)O)O3
InChI=1SC20H21NO5c111(2)915208714(2620)16(19(23)24)17(20)18(22)21(15)1254613(1012)253h48101417H19H223H3(H2324)t1415?16?1720+m0s1
MFCD03850412
ZINC000001130634
ZINC000005389819
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