Vitas-M small molecule compound

N-[1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]biphenyl-4-carboxamide

Catalog ID
STK134534
SMILES Clc1ccc(cc1)c1c(C)nn(c1NC(=O)c1ccc(cc1)c1ccccc1)c1nc2c(s1)cccc2

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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 C30H21ClN4OS MW 521.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21ClN4OS/c1-19-27(22-15-17-24(31)18-16-22)28(35(34-19)30-32-25-9-5-6-10-26(25)37-30)33-29(36)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h2-18H,1H3,(H,33,36)
InChIKey
KRRKQSWUOWSZGC-UHFFFAOYSA-N
Synonyms

CC1=NN(C(=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=NC6=CC=CC=C6S5
InChI=1SC30H21ClN4OSc11927(22151724(31)181622)28(35(3419)3032259561026(25)3730)3329(36)23131121(121423)207324820h218H1H3(H3336)
MFCD03903847
N(1(13BENZOTHIAZOL2YL)4(4CHLOROPHENYL)3METHYL1HPYRAZOL5YL)BIPHENYL4CARBOXAMIDE
N(1BENZOTHIAZOL2YL4(4CHLOROPHENYL)3METHYLPYRAZOL5YL)(4PHENYLPHENYL)CARBOXAMIDE
N(2(13BENZOTHIAZOL2YL)4(4CHLOROPHENYL)5METHYLPYRAZOL3YL)4PHENYLBENZAMIDE
ZINC000001849672
ZINC01849672
ZINC1849672

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Available files

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