Vitas-M small molecule compound
4-methylbenzyl 3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK406738
SMILES COc1cc(cc(c1OC)OC)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 C27H29NO6 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6/c1-15-6-8-17(9-7-15)14-34-27(30)25-16(2)24-20(28-25)10-18(11-21(24)29)19-12-22(31-3)26(33-5)23(13-19)32-4/h6-9,12-13,18,28H,10-11,14H2,1-5H3InChIKey
BLNVLDNCBZRFJR-UHFFFAOYSA-NSynonyms
(4methylphenyl)methyl3methyl4oxo6(345trimethoxyphenyl)1567tetrahydroindole2carboxylate
(4METHYLPHENYL)METHYL3METHYL4OXO6(345TRIMETHOXYPHENYL)567TRIHYDROINDOLE2CARBOXYLATE
4methylbenzyl3methyl4oxo6(345trimethoxyphenyl)4567tetrahydro1Hindole2carboxylate
CC1=CC=C(C=C1)COC(=O)C2=C(C3=C(N2)CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C
COc1cc(cc(c1OC)OC)C1CC(=O)c2c(C1)(nH)c(c2C)C(=O)OCc1ccc(cc1)C
InChI=1SC27H29NO6c1156817(9715)143427(30)2516(2)2420(2825)1018(1121(24)29)191222(313)26(335)23(1319)324h6912131828H101114H215H3
MFCD07613325
ZINC000008594178
ZINC000008594179
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