Vitas-M small molecule compound

N-{(1Z)-3-(benzylamino)-1-[3-(4-iodophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide

Catalog ID
STK794379
SMILES Cc1ccc(cc1)C(=O)N/C(=C\c1cn(nc1c1ccc(cc1)I)c1ccccc1)/C(=O)NCc1ccccc1

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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 C33H27IN4O2 MW 638.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27IN4O2/c1-23-12-14-26(15-13-23)32(39)36-30(33(40)35-21-24-8-4-2-5-9-24)20-27-22-38(29-10-6-3-7-11-29)37-31(27)25-16-18-28(34)19-17-25/h2-20,22H,21H2,1H3,(H,35,40)(H,36,39)/b30-20-
InChIKey
QJBYDQRAWTYDNH-COEJQBHMSA-N
Synonyms

(2Z)3(3(4IODOPHENYL)1PHENYLPYRAZOL4YL)2((4METHYLPHENYL)CARBONYLAMINO)NBENZYLPROP2ENAMIDE
(Z)N(3(benzylamino)1(3(4iodophenyl)1phenyl1Hpyrazol4yl)3oxoprop1en2yl)4methylbenzamide
CC1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC=C(C=C3)I)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5
Cc1ccc(cc1)C(=O)NC(=Cc1cn(nc1c1ccc(cc1)I)c1ccccc1)C(=O)NCc1ccccc1
InChI=1SC33H27IN4O2c123121426(151323)32(39)3630(33(40)3521248425924)20272238(29106371129)3731(27)25161828(34)191725h22022H21H21H3(H3540)(H3639)b3020
MFCD03297333
N((1Z)3(benzylamino)1(3(4iodophenyl)1phenyl1Hpyrazol4yl)3oxoprop1en2yl)4methylbenzamide
N((Z)3(BENZYLAMINO)1(3(4IODOPHENYL)1PHENYLPYRAZOL4YL)3OXOPROP1EN2YL)4METHYLBENZAMIDE
ZINC000097947566
ZINC97947566

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Available files

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