Vitas-M small molecule compound

4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[(2E)-4-(naphthalen-1-yl)-1,3-thiazol-2(3H)-ylidene]benzamide

Catalog ID
STK610720
SMILES O=C(c1ccc(cc1)Cn1nc(c(c1C)Br)C)/N=c\1/scc([nH]1)c1cccc2c1cccc2

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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 C26H21BrN4OS MW 517.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4OS/c1-16-24(27)17(2)31(30-16)14-18-10-12-20(13-11-18)25(32)29-26-28-23(15-33-26)22-9-5-7-19-6-3-4-8-21(19)22/h3-13,15H,14H2,1-2H3,(H,28,29,32)
InChIKey
DXJWLZGRSRVJAI-UHFFFAOYSA-N
Synonyms
351332-75-7
351332757
4((4bromo35dimethyl1Hpyrazol1yl)methyl)N((2E)4(naphthalen1yl)13thiazol2(3H)ylidene)benzamide
4((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)N(4(1NAPHTHYL)13THIAZOL2YL)BENZAMIDE
4((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)N(4(NAPHTHALEN1YL)13THIAZOL2YL)BENZAMIDE
4((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)N(4NAPHTHALEN1YL13THIAZOL2YL)BENZAMIDE
CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC5=CC=CC=C54)C)Br
InChI=1SC26H21BrN4OSc11624(27)17(2)31(3016)1418101220(131118)25(32)29262823(153326)2295719634821(19)22h31315H14H212H3(H282932)
MFCD08729665
O=C(c1ccc(cc1)Cn1nc(c(c1C)Br)C)N=c1scc((nH)1)c1cccc2c1cccc2
ZINC000009136336
ZINC09136336
ZINC9136336

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Available files

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