Vitas-M small molecule compound
cyclohexylmethyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405435
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 C27H35NO3 MW 421.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO3/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/h10-13,18,20,28H,5-9,14-16H2,1-4H3InChIKey
CNMZVJQXHBAPGN-UHFFFAOYSA-NSynonyms
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC4CCCCC4
CYCLOHEXYLMETHYL6(4(TERTBUTYL)PHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
cyclohexylmethyl6(4tertbutylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
cyclohexylmethyl6(4tertbutylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
InChI=1SC27H35NO3c1172422(2825(17)26(30)3116188657918)1420(1523(24)29)19101221(131119)27(23)4h1013182028H591416H214H3
MFCD06651891
ZINC000006819380
ZINC000006819381
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