Vitas-M small molecule compound
11-(4-chloro-3-nitrophenyl)-2-ethyl-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990683
SMILES CCc1nc2n(c3ccc(c(c3)[N+](=O)[O-])Cl)c3c(c2c(=O)n1CCC(C)C)nc1c(n3)cccc1
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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 C25H23ClN6O3 MW 490.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6O3/c1-4-20-29-23-21(25(33)30(20)12-11-14(2)3)22-24(28-18-8-6-5-7-17(18)27-22)31(23)15-9-10-16(26)19(13-15)32(34)35/h5-10,13-14H,4,11-12H2,1-3H3InChIKey
SQKQTNZGRUBGHV-UHFFFAOYSA-NSynonyms
11(4chloro3nitrophenyl)2ethyl3(3methylbutyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)(N+)(=O)(O))C(=O)N1CCC(C)C
CCc1nc2n(c3ccc(c(c3)(N+)(=O)(O))Cl)c3c(c2c(=O)n1CCC(C)C)nc1c(n3)cccc1
InChI=1SC25H23ClN6O3c1420292321(25(33)30(20)121114(2)3)2224(2818865717(18)2722)31(23)1591016(26)19(1315)32(34)35h5101314H41112H213H3
MFCD05690312
ZINC000006150822
ZINC06150822
ZINC6150822
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