Vitas-M small molecule compound
cyclooctyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405490
SMILES O=C1CC(Cc2c1c(C)c([nH]2)C(=O)OC1CCCCCCC1)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 C28H37NO3 MW 435.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO3/c1-18-25-23(29-26(18)27(31)32-22-10-8-6-5-7-9-11-22)16-20(17-24(25)30)19-12-14-21(15-13-19)28(2,3)4/h12-15,20,22,29H,5-11,16-17H2,1-4H3InChIKey
ZRWNPVVAJHMMGW-UHFFFAOYSA-NSynonyms
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC4CCCCCCC4
CYCLOOCTYL6(4(TERTBUTYL)PHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
cyclooctyl6(4tertbutylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
cyclooctyl6(4tertbutylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
InChI=1SC28H37NO3c1182523(2926(18)27(31)322210865791122)1620(1724(25)30)19121421(151319)28(23)4h1215202229H5111617H214H3
MFCD06754186
O=C1CC(Cc2c1c(C)c((nH)2)C(=O)OC1CCCCCCC1)c1ccc(cc1)C(C)(C)C
ZINC000004911281
ZINC000004911285
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