Vitas-M small molecule compound
11-(4-ethoxyphenyl)-3-heptyl-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990455
SMILES CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)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 C28H31N5O2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2/c1-4-6-7-8-11-18-32-19(3)29-26-24(28(32)34)25-27(31-23-13-10-9-12-22(23)30-25)33(26)20-14-16-21(17-15-20)35-5-2/h9-10,12-17H,4-8,11,18H2,1-3H3InChIKey
BSOUHSNAHCDGED-UHFFFAOYSA-NSynonyms
847271-22-111(4ethoxyphenyl)3heptyl2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4ethoxyphenyl)3heptyl2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
847271221
CCCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)OCC)C
InChI=1SC28H31N5O2c1467811183219(3)292624(28(32)34)2527(3123131091222(23)3025)33(26)20141621(171520)3552h9101217H481118H213H3
MFCD04179242
ZINC000002198552
ZINC2198552
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