Vitas-M small molecule compound
pentyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405432
SMILES CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C2)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 C25H33NO3 MW 395.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO3/c1-6-7-8-13-29-24(28)23-16(2)22-20(26-23)14-18(15-21(22)27)17-9-11-19(12-10-17)25(3,4)5/h9-12,18,26H,6-8,13-15H2,1-5H3InChIKey
LRWJQCCHOKOJTK-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)c1(nH)c2c(c1C)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
CCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)C
InChI=1SC25H33NO3c1678132924(28)2316(2)2220(2623)1418(1521(22)27)1791119(121017)25(34)5h9121826H681315H215H3
MFCD06651841
PENTYL6(4(TERTBUTYL)PHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
pentyl6(4tertbutylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
pentyl6(4tertbutylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
ZINC000004910921
ZINC000004910925
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