Vitas-M small molecule compound
ethyl 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
STK990470
SMILES CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C(=O)OCC
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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/c1-4-6-7-8-11-18-33-19(3)30-26-24(28(33)35)25-27(32-23-13-10-9-12-22(23)31-25)34(26)21-16-14-20(15-17-21)29(36)37-5-2/h9-10,12-17H,4-8,11,18H2,1-3H3InChIKey
XMEUISNFKGNFGW-UHFFFAOYSA-NSynonyms
845663-48-1845663481
CCCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OCC)C
ethyl4(3heptyl2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3heptyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC29H31N5O3c1467811183319(3)302624(28(33)35)2527(3223131091222(23)3125)34(26)21161420(151721)29(36)3752h9101217H481118H213H3
MFCD04168635
ZINC000002416310
ZINC2416310
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