Vitas-M small molecule compound
11-{[(E)-(4-tert-butylphenyl)methylidene]amino}-3-(2-methoxyethyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL235351
SMILES COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/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 C27H28N6O2 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O2/c1-17-29-24-22(26(34)32(17)14-15-35-5)23-25(31-21-9-7-6-8-20(21)30-23)33(24)28-16-18-10-12-19(13-11-18)27(2,3)4/h6-13,16H,14-15H2,1-5H3/b28-16+InChIKey
LNSVNMYEVNRYCJ-LQKURTRISA-NSynonyms
860790-04-1(E)11((4(tertbutyl)benzylidene)amino)3(2methoxyethyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
11(((E)(4tertbutylphenyl)methylidene)amino)3(2methoxyethyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
860790041
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=C(C=C5)C(C)(C)C)C(=O)N1CCOC
COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccc(cc1)C(C)(C)C
InChI=1SC27H28N6O2c117292422(26(34)32(17)1415355)2325(3121976820(21)3023)33(24)281618101219(131118)27(23)4h61316H1415H215H3b2816+
MFCD04157565
ZINC000002403031
ZINC33365590
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