Vitas-M small molecule compound
methyl 4-(3-heptyl-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate
Catalog ID
STK990467
SMILES CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C(=O)OC
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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 C28H29N5O3 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3/c1-4-5-6-7-10-17-32-18(2)29-25-23(27(32)34)24-26(31-22-12-9-8-11-21(22)30-24)33(25)20-15-13-19(14-16-20)28(35)36-3/h8-9,11-16H,4-7,10,17H2,1-3H3InChIKey
LPRLBSSVLCQCGP-UHFFFAOYSA-NSynonyms
844462-97-1844462971
CCCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC)C
InChI=1SC28H29N5O3c1456710173218(2)292523(27(32)34)2426(312212981121(22)3024)33(25)20151319(141620)28(35)363h891116H471017H213H3
methyl4(3heptyl2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
methyl4(3heptyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
MFCD04157736
ZINC000002403187
ZINC2403187
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