Vitas-M small molecule compound

{4-[(6-chloro-4-phenylquinazolin-2-yl)amino]phenyl}[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone

Catalog ID
STK533026
SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)Nc1nc2ccc(cc2c(n1)c1ccccc1)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 C37H27ClN6O4 MW 655.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H27ClN6O4/c1-48-30-17-12-23(13-18-30)33-22-34(26-8-5-9-29(20-26)44(46)47)43(42-33)36(45)25-10-15-28(16-11-25)39-37-40-32-19-14-27(38)21-31(32)35(41-37)24-6-3-2-4-7-24/h2-21,34H,22H2,1H3,(H,39,40,41)
InChIKey
DYKUDGCKCRJJHC-UHFFFAOYSA-N
Synonyms

(4((6chloro4phenylquinazolin2yl)amino)phenyl)(3(4methoxyphenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)methanone
(4((6CHLORO4PHENYLQUINAZOLIN2YL)AMINO)PHENYL)(5(4METHOXYPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOL2YL)METHANONE
6CHLORON(4((3(4METHOXYPHENYL)5(3NITROPHENYL)45DIHYDRO1HPYRAZOL1YL)CARBONYL)PHENYL)4PHENYLQUINAZOLIN2AMINE
COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C4=CC=C(C=C4)NC5=NC6=C(C=C(C=C6)Cl)C(=N5)C7=CC=CC=C7
COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)(N+)(=O)(O))C(=O)c1ccc(cc1)Nc1nc2ccc(cc2c(n1)c1ccccc1)Cl
InChI=1SC37H27ClN6O4c14830171223(131830)332234(2685929(2026)44(46)47)43(4233)36(45)25101528(161125)39374032191427(38)2131(32)35(4137)246324724h22134H22H21H3(H394041)
MFCD01932603
ZINC000033358324
ZINC000033358325

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Available files

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