Vitas-M small molecule compound

N,N-diethyl-3-{4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}benzenesulfonamide

Catalog ID
STK904913
SMILES CCN(S(=O)(=O)c1cccc(c1)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)c1ccccc1)CC

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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 C30H29N5O3S MW 539.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O3S/c1-4-33(5-2)39(37,38)27-18-12-13-23(19-27)29-24(21-34(32-29)25-14-8-6-9-15-25)20-28-22(3)31-35(30(28)36)26-16-10-7-11-17-26/h6-21H,4-5H2,1-3H3/b28-20-
InChIKey
CMTJGQBZNUIMOP-RRAHZORUSA-N
Synonyms
1009770-40-4
(Z)NNdiethyl3(4((3methyl5oxo1phenyl1Hpyrazol4(5H)ylidene)methyl)1phenyl1Hpyrazol3yl)benzenesulfonamide
1009770404
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5
CCN(S(=O)(=O)c1cccc(c1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1)CC
InChI=1SC30H29N5O3Sc1433(52)39(3738)2718121323(1927)2924(2134(3229)25148691525)202822(3)3135(30(28)36)2616107111726h621H45H213H3b2820
MFCD04177629
NNdiethyl3(4((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)1phenyl1Hpyrazol3yl)benzenesulfonamide
NNDIETHYL3(4((Z)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)1PHENYLPYRAZOL3YL)BENZENESULFONAMIDE
ZINC000101134884
ZINC101134884

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Available files

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