Vitas-M small molecule compound
(2E)-but-2-en-1-yl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405771
SMILES C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)CC(C2)c1ccc(c(c1)OC)OC
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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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-5-6-9-28-22(25)21-13(2)20-16(23-21)10-15(11-17(20)24)14-7-8-18(26-3)19(12-14)27-4/h5-8,12,15,23H,9-11H2,1-4H3/b6-5+InChIKey
QDURFKPLVOVULZ-AATRIKPKSA-NSynonyms
((E)but2enyl)6(34dimethoxyphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
(2E)but2en1yl6(34dimethoxyphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
(2E)BUT2ENYL6(34DIMETHOXYPHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
CC=CCOC(=O)c1(nH)c2c(c1C)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CC=CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C
InChI=1SC22H25NO5c15692822(25)2113(2)2016(2321)1015(1117(20)24)147818(263)19(1214)274h58121523H911H214H3b65+
MFCD06754362
ZINC000004912132
ZINC000004912136
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