Vitas-M small molecule compound

2-phenylethyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Catalog ID
STK405719
SMILES O=C1CC(Cc2c1c(C)c([nH]2)C(=O)OCCc1ccccc1)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 C28H31NO3 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO3/c1-18-25-23(29-26(18)27(31)32-15-14-19-8-6-5-7-9-19)16-21(17-24(25)30)20-10-12-22(13-11-20)28(2,3)4/h5-13,21,29H,14-17H2,1-4H3
InChIKey
LTSJGUAWIHMBMZ-UHFFFAOYSA-N
Synonyms

2PHENYLETHYL6(4(TERTBUTYL)PHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
2phenylethyl6(4tertbutylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
2phenylethyl6(4tertbutylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCCC4=CC=CC=C4
InChI=1SC28H31NO3c1182523(2926(18)27(31)321514198657919)1621(1724(25)30)20101222(131120)28(23)4h5132129H1417H214H3
MFCD06754312
O=C1CC(Cc2c1c(C)c((nH)2)C(=O)OCCc1ccccc1)c1ccc(cc1)C(C)(C)C
ZINC000004911805
ZINC000004911809

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Available files

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