Vitas-M small molecule compound
2-phenoxyethyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405506
SMILES O=C(c1[nH]c2c(c1C)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C)OCCOc1ccccc1
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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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-18-25-23(29-26(18)27(31)33-15-14-32-22-8-6-5-7-9-22)16-20(17-24(25)30)19-10-12-21(13-11-19)28(2,3)4/h5-13,20,29H,14-17H2,1-4H3InChIKey
VYMGSOMBORWCQL-UHFFFAOYSA-NSynonyms
2PHENOXYETHYL6(4(TERTBUTYL)PHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
2phenoxyethyl6(4tertbutylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
2phenoxyethyl6(4tertbutylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCCOC4=CC=CC=C4
InChI=1SC28H31NO4c1182523(2926(18)27(31)33151432228657922)1620(1724(25)30)19101221(131119)28(23)4h5132029H1417H214H3
MFCD06754199
O=C(c1(nH)c2c(c1C)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C)OCCOc1ccccc1
ZINC000008594224
ZINC000008594225
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