Vitas-M small molecule compound
9-(4-chloro-3-nitrophenyl)-3,3,6,6-tetramethyl-10-(4-methylbenzyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Catalog ID
STK914503
SMILES Cc1ccc(cc1)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C31H33ClN2O4 MW 533.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33ClN2O4/c1-18-6-8-19(9-7-18)17-33-23-13-30(2,3)15-25(35)28(23)27(20-10-11-21(32)22(12-20)34(37)38)29-24(33)14-31(4,5)16-26(29)36/h6-12,27H,13-17H2,1-5H3InChIKey
OYMZYDDUAIVQPS-UHFFFAOYSA-NSynonyms
9(4chloro3nitrophenyl)3366tetramethyl10((4methylphenyl)methyl)4579tetrahydro2Hacridine18dione
9(4chloro3nitrophenyl)3366tetramethyl10(4methylbenzyl)3467910hexahydroacridine18(2H5H)dione
CC1=CC=C(C=C1)CN2C3=C(C(C4=C2CC(CC4=O)(C)C)C5=CC(=C(C=C5)Cl)(N+)(=O)(O))C(=O)CC(C3)(C)C
Cc1ccc(cc1)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC31H33ClN2O4c1186819(9718)1733231330(23)1525(35)28(23)27(20101121(32)22(1220)34(37)38)2924(33)1431(45)1626(29)36h61227H1317H215H3
MFCD14714012
ZINC000020103747
ZINC20103747
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