Vitas-M small molecule compound

6,6'-methanediylbis[3-(3-nitrophenyl)-2-phenylquinazolin-4(3H)-one]

Catalog ID
STK295950
SMILES [O-][N+](=O)c1cccc(c1)n1c(nc2c(c1=O)cc(cc2)Cc1ccc2c(c1)c(=O)n(c(n2)c1ccccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1

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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 C41H26N6O6 MW 698.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H26N6O6/c48-40-34-22-26(17-19-36(34)42-38(28-9-3-1-4-10-28)44(40)30-13-7-15-32(24-30)46(50)51)21-27-18-20-37-35(23-27)41(49)45(31-14-8-16-33(25-31)47(52)53)39(43-37)29-11-5-2-6-12-29/h1-20,22-25H,21H2
InChIKey
RLEDUPADOAEMRE-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cccc(c1)n1c(nc2c(c1=O)cc(cc2)Cc1ccc2c(c1)c(=O)n(c(n2)c1ccccc1)c1cccc(c1)(N+)(=O)(O))c1ccccc1
3(3nitrophenyl)6((3(3nitrophenyl)4oxo2phenylquinazolin6yl)methyl)2phenylquinazolin4one
66methanediylbis(3(3nitrophenyl)2phenylquinazolin4(3H)one)
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CC4=CC5=C(C=C4)N=C(N(C5=O)C6=CC(=CC=C6)(N+)(=O)(O))C7=CC=CC=C7)C(=O)N2C8=CC(=CC=C8)(N+)(=O)(O)
InChI=1SC41H26N6O6c4840342226(171936(34)4238(2893141028)44(40)301371532(2430)46(50)51)212718203735(2327)41(49)45(311481633(2531)47(52)53)39(4337)29115261229h1202225H21H2
MFCD00303839
ZINC000150413398
ZINC150413398

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.