Vitas-M small molecule compound
4-methylbenzyl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405496
SMILES CCc1ccc(cc1)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 C26H27NO3 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3/c1-4-18-9-11-20(12-10-18)21-13-22-24(23(28)14-21)17(3)25(27-22)26(29)30-15-19-7-5-16(2)6-8-19/h5-12,21,27H,4,13-15H2,1-3H3InChIKey
VOTILOVDGRWLSS-UHFFFAOYSA-NSynonyms
(4methylphenyl)methyl6(4ethylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
(4METHYLPHENYL)METHYL6(4ETHYLPHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
4methylbenzyl6(4ethylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
CCC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OCC4=CC=C(C=C4)C)C)C(=O)C2
CCc1ccc(cc1)C1CC(=O)c2c(C1)(nH)c(c2C)C(=O)OCc1ccc(cc1)C
InChI=1SC26H27NO3c141891120(121018)21132224(23(28)1421)17(3)25(2722)26(29)3015197516(2)6819h5122127H41315H213H3
MFCD06754190
ZINC000004911318
ZINC000004911323
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