Vitas-M small molecule compound
4-methylbenzyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405772
SMILES COc1cc(ccc1OC)C1CC(=O)c2c(C1)[nH]c(c2C)C(=O)OCc1ccc(cc1)C
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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 C26H27NO5 MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO5/c1-15-5-7-17(8-6-15)14-32-26(29)25-16(2)24-20(27-25)11-19(12-21(24)28)18-9-10-22(30-3)23(13-18)31-4/h5-10,13,19,27H,11-12,14H2,1-4H3InChIKey
NKOJUOBDKZCYGN-UHFFFAOYSA-NSynonyms
(4methylphenyl)methyl6(34dimethoxyphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
(4METHYLPHENYL)METHYL6(34DIMETHOXYPHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
4methylbenzyl6(34dimethoxyphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
CC1=CC=C(C=C1)COC(=O)C2=C(C3=C(N2)CC(CC3=O)C4=CC(=C(C=C4)OC)OC)C
COc1cc(ccc1OC)C1CC(=O)c2c(C1)(nH)c(c2C)C(=O)OCc1ccc(cc1)C
InChI=1SC26H27NO5c1155717(8615)143226(29)2516(2)2420(2725)1119(1221(24)28)1891022(303)23(1318)314h510131927H111214H214H3
MFCD06754363
ZINC000009559819
ZINC000009559820
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