Vitas-M small molecule compound
3-(butan-2-yl)-11-(4-butylphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714322
SMILES CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(CC)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 C27H29N5O MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O/c1-5-7-10-19-13-15-20(16-14-19)32-25-23(27(33)31(17(3)6-2)18(4)28-25)24-26(32)30-22-12-9-8-11-21(22)29-24/h8-9,11-17H,5-7,10H2,1-4H3InChIKey
ZGIJENAEAFXSIU-UHFFFAOYSA-NSynonyms
844832-81-13(butan2yl)11(4butylphenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(secbutyl)11(4butylphenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
844832811
CCCCC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)C(C)CC
InChI=1SC27H29N5Oc1571019131520(161419)322523(27(33)31(17(3)62)18(4)2825)2426(32)302212981121(22)2924h891117H5710H214H3
MFCD04163540
ZINC000002410149
ZINC000002410150
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