Vitas-M small molecule compound

(4Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[4-(dimethylamino)benzylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK069787
SMILES Brc1ccc(cc1)c1csc(n1)N1N=C(/C(=C/c2ccc(cc2)N(C)C)/C1=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 C27H21BrN4OS MW 529.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN4OS/c1-31(2)22-14-8-18(9-15-22)16-23-25(20-6-4-3-5-7-20)30-32(26(23)33)27-29-24(17-34-27)19-10-12-21(28)13-11-19/h3-17H,1-2H3/b23-16-
InChIKey
BBWPYGXFMARNAZ-KQWNVCNZSA-N
Synonyms

(4Z)2(4(4bromophenyl)13thiazol2yl)4((4(dimethylamino)phenyl)methylidene)5phenylpyrazol3one
(4Z)2(4(4BROMOPHENYL)13THIAZOL2YL)4((4DIMETHYLAMINOPHENYL)METHYLIDENE)5PHENYLPYRAZOL3ONE
(4Z)2(4(4BROMOPHENYL)13THIAZOL2YL)4(4(DIMETHYLAMINO)BENZYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
4((4(DIMETHYLAMINO)PHENYL)METHYLENE)1(4(4BROMOPHENYL)(13THIAZOL2YL))3PHENYL12DIAZOLIN5ONE
Brc1ccc(cc1)c1csc(n1)N1N=C(C(=Cc2ccc(cc2)N(C)C)C1=O)c1ccccc1
CN(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5
InChI=1SC27H21BrN4OSc131(2)2214818(91522)162325(206435720)3032(26(23)33)272924(173427)19101221(28)131119h317H12H3b2316
MFCD01990151
STK069787
ZINC000100004782
ZINC100004782

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Available files

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