Vitas-M small molecule compound
ethyl 6-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Catalog ID
STK405507
SMILES CCOC(=O)c1[nH]c2c(c1c1ccc(cc1)OC)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-6-33-27(31)26-24(18-9-13-21(32-5)14-10-18)25-22(29-26)15-19(16-23(25)30)17-7-11-20(12-8-17)28(2,3)4/h7-14,19,29H,6,15-16H2,1-5H3InChIKey
CITILKBQMULAQA-UHFFFAOYSA-NSynonyms
CCOC(=O)c1(nH)c2c(c1c1ccc(cc1)OC)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC
ETHYL6(4(TERTBUTYL)PHENYL)3(4METHOXYPHENYL)4OXO567TRIHYDROINDOLE2CARBOXYLATE
ethyl6(4tertbutylphenyl)3(4methoxyphenyl)4oxo1567tetrahydroindole2carboxylate
ethyl6(4tertbutylphenyl)3(4methoxyphenyl)4oxo4567tetrahydro1Hindole2carboxylate
InChI=1SC28H31NO4c163327(31)2624(1891321(325)141018)2522(2926)1519(1623(25)30)1771120(12817)28(23)4h7141929H61516H215H3
MFCD06754200
ZINC000009559783
ZINC000009559784
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