Vitas-M small molecule compound
propyl 4-(3-hexyl-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate
Catalog ID
STL226005
SMILES CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C(=O)OCCC
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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 C29H31N5O3 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3/c1-4-6-7-10-17-33-19(3)30-26-24(28(33)35)25-27(32-23-12-9-8-11-22(23)31-25)34(26)21-15-13-20(14-16-21)29(36)37-18-5-2/h8-9,11-16H,4-7,10,17-18H2,1-3H3InChIKey
BJMTZZLWCYLDPC-UHFFFAOYSA-NSynonyms
844458-27-1844458271
CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OCCC)C
InChI=1SC29H31N5O3c146710173319(3)302624(28(33)35)2527(322312981122(23)3125)34(26)21151320(141621)29(36)371852h891116H47101718H213H3
MFCD04155534
propyl4(3hexyl2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
propyl4(3hexyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
ZINC000002400825
ZINC02400825
ZINC2400825
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