Vitas-M small molecule compound
heptyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405479
SMILES CCCCCCCOC(=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 C27H37NO3 MW 423.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO3/c1-6-7-8-9-10-15-31-26(30)25-18(2)24-22(28-25)16-20(17-23(24)29)19-11-13-21(14-12-19)27(3,4)5/h11-14,20,28H,6-10,15-17H2,1-5H3InChIKey
ICKGEVXARDSLSW-UHFFFAOYSA-NSynonyms
CCCCCCCOC(=O)c1(nH)c2c(c1C)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)C
HEPTYL6(4(TERTBUTYL)PHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
heptyl6(4tertbutylphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
heptyl6(4tertbutylphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
InChI=1SC27H37NO3c1678910153126(30)2518(2)2422(2825)1620(1723(24)29)19111321(141219)27(34)5h11142028H6101517H215H3
MFCD06754176
ZINC000097940014
ZINC000097940015
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