Vitas-M small molecule compound

1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine

Catalog ID
STK132956
SMILES Clc1ccc(cc1)c1c(C)nn(c1N)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 C17H13ClN4S MW 340.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4S/c1-10-15(11-6-8-12(18)9-7-11)16(19)22(21-10)17-20-13-4-2-3-5-14(13)23-17/h2-9H,19H2,1H3
InChIKey
NCAUYMSUKWBKQE-UHFFFAOYSA-N
Synonyms
908228-22-8
1(13BENZOTHIAZOL2YL)4(4CHLOROPHENYL)3METHYL1HPYRAZOL5AMINE
1(benzo(d)thiazol2yl)4(4chlorophenyl)3methyl1Hpyrazol5amine
2(13BENZOTHIAZOL2YL)4(4CHLOROPHENYL)5METHYLPYRAZOL3AMINE
908228228
CC1=NN(C(=C1C2=CC=C(C=C2)Cl)N)C3=NC4=CC=CC=C4S3
InChI=1SC17H13ClN4Sc11015(116812(18)9711)16(19)22(2110)172013423514(13)2317h29H19H21H3
MFCD03856078
ZINC000000112819
ZINC00112819
ZINC112819

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Available files

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