Vitas-M small molecule compound
11-(4-butylphenyl)-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714291
SMILES CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCC(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 C27H29N5O MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O/c1-4-5-8-19-11-13-20(14-12-19)32-25-23(27(33)31(17-28-25)16-15-18(2)3)24-26(32)30-22-10-7-6-9-21(22)29-24/h6-7,9-14,17-18H,4-5,8,15-16H2,1-3H3InChIKey
LWELHOQPLSNAQA-UHFFFAOYSA-NSynonyms
848753-36-611(4butylphenyl)3(3methylbutyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4butylphenyl)3isopentyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
848753366
CCCCC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCC(C)C
InChI=1SC27H29N5Oc145819111320(141219)322523(27(33)31(172825)161518(2)3)2426(32)30221076921(22)2924h679141718H4581516H213H3
MFCD04196529
ZINC000002435375
ZINC02435375
ZINC2435375
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