Vitas-M small molecule compound
3-(2-methoxyethyl)-2-methyl-11-{[(E)-thiophen-2-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL232467
SMILES COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccs1
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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 C21H18N6O2S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O2S/c1-13-23-19-17(21(28)26(13)9-10-29-2)18-20(25-16-8-4-3-7-15(16)24-18)27(19)22-12-14-6-5-11-30-14/h3-8,11-12H,9-10H2,1-2H3/b22-12+InChIKey
YOEHNDOZFIEEFX-WSDLNYQXSA-NSynonyms
860806-51-5(E)3(2methoxyethyl)2methyl11((thiophen2ylmethylene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2methoxyethyl)2methyl11(((E)thiophen2ylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
860806515
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=CS5)C(=O)N1CCOC
COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccs1
InChI=1SC21H18N6O2Sc113231917(21(28)26(13)910292)1820(2516843715(16)2418)27(19)22121465113014h381112H910H212H3b2212+
MFCD04167575
ZINC000002414779
ZINC33367471
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