Vitas-M small molecule compound
11-(3-chloro-4-methoxyphenyl)-2-methyl-3-(4-methylbenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714195
SMILES COc1ccc(cc1Cl)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)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 C28H22ClN5O2 MW 495.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5O2/c1-16-8-10-18(11-9-16)15-33-17(2)30-26-24(28(33)35)25-27(32-22-7-5-4-6-21(22)31-25)34(26)19-12-13-23(36-3)20(29)14-19/h4-14H,15H2,1-3H3InChIKey
QEJMYHKBJAQCBW-UHFFFAOYSA-NSynonyms
836633-82-011(3chloro4methoxyphenyl)2methyl3(4methylbenzyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(3chloro4methoxyphenyl)2methyl3(4methylbenzyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836633820
CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC(=C(C=C6)OC)Cl)C
InChI=1SC28H22ClN5O2c11681018(11916)153317(2)302624(28(33)35)2527(3222754621(22)3125)34(26)19121323(363)20(29)1419h414H15H213H3
MFCD03689352
ZINC000008836762
ZINC08836762
ZINC8836762
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