Vitas-M small molecule compound
ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylate
Catalog ID
STK678986
SMILES CCOC(=O)c1nn(cc1C(=O)c1nc2c(s1)cccc2)c1cccc(c1)C
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-3-27-21(26)18-15(12-24(23-18)14-8-6-7-13(2)11-14)19(25)20-22-16-9-4-5-10-17(16)28-20/h4-12H,3H2,1-2H3InChIKey
WJKZEVAQFMJRJV-UHFFFAOYSA-NSynonyms
4(BENZOTHIAZOLE2CARBONYL)1MTOLYL1HPYRAZOLE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=NN(C=C1C(=O)C2=NC3=CC=CC=C3S2)C4=CC=CC(=C4)C
ETHYL4(13BENZOTHIAZOL2YLCARBONYL)1(3METHYLPHENYL)1HPYRAZOLE3CARBOXYLATE
ETHYL4(13BENZOTHIAZOLE2CARBONYL)1(3METHYLPHENYL)PYRAZOLE3CARBOXYLATE
InChI=1SC21H17N3O3Sc132721(26)1815(1224(2318)1486713(2)1114)19(25)2022169451017(16)2820h412H3H212H3
MFCD02325799
ZINC000001071115
ZINC01071115
ZINC1071115
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