Vitas-M small molecule compound

(2E)-3-(3,4-dimethoxyphenyl)-1-(2,2,4-trimethyl-4-phenyl-6-trityl-3,4-dihydroquinolin-1(2H)-yl)prop-2-en-1-one

Catalog ID
STK508596
SMILES COc1ccc(cc1OC)/C=C/C(=O)N1c2ccc(cc2C(CC1(C)C)(C)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

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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 C48H45NO3 MW 683.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H45NO3/c1-46(2)34-47(3,36-18-10-6-11-19-36)41-33-40(28-29-42(41)49(46)45(50)31-27-35-26-30-43(51-4)44(32-35)52-5)48(37-20-12-7-13-21-37,38-22-14-8-15-23-38)39-24-16-9-17-25-39/h6-33H,34H2,1-5H3/b31-27+
InChIKey
LORSHRPVEPNYTJ-TVKQRKNISA-N
Synonyms

(2E)3(34dimethoxyphenyl)1(224trimethyl4phenyl6trityl34dihydroquinolin1(2H)yl)prop2en1one
(E)3(34dimethoxyphenyl)1(224trimethyl4phenyl6trityl34dihydroquinolin1(2H)yl)prop2en1one
(E)3(34DIMETHOXYPHENYL)1(224TRIMETHYL4PHENYL6TRITYL3HQUINOLIN1YL)PROP2EN1ONE
CC1(CC(C2=C(N1C(=O)C=CC3=CC(=C(C=C3)OC)OC)C=CC(=C2)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C)C7=CC=CC=C7)C
COc1ccc(cc1OC)C=CC(=O)N1c2ccc(cc2C(CC1(C)C)(C)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI=1SC48H45NO3c146(2)3447(33618106111936)413340(282942(41)49(46)45(50)312735263043(514)44(3235)525)48(37201271321373822148152338)3924169172539h633H34H215H3b3127+
MFCD01171369
ZINC000008430278
ZINC000008430279

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.