Vitas-M small molecule compound
benzyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405428
SMILES O=C1CC(Cc2c1c(C)c([nH]2)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)(C)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 C27H29NO3 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO3/c1-17-24-22(28-25(17)26(30)31-16-18-8-6-5-7-9-18)14-20(15-23(24)29)19-10-12-21(13-11-19)27(2,3)4/h5-13,20,28H,14-16H2,1-4H3InChIKey
PZAJULIAZULWML-UHFFFAOYSA-NSynonyms
benzyl6(4tertbutylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
benzyl6(4tertbutylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC4=CC=CC=C4
InChI=1SC27H29NO3c1172422(2825(17)26(30)3116188657918)1420(1523(24)29)19101221(131119)27(23)4h5132028H1416H214H3
MFCD06651881
O=C1CC(Cc2c1c(C)c((nH)2)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)(C)C
PHENYLMETHYL6(4(TERTBUTYL)PHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
ZINC000004910889
ZINC000004910894
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