Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK871079
SMILES CC(CCC1C(=NN(C1=O)c1nc2c(s1)cccc2)C)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 C16H19N3OS MW 301.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3OS/c1-10(2)8-9-12-11(3)18-19(15(12)20)16-17-13-6-4-5-7-14(13)21-16/h4-7,10,12H,8-9H2,1-3H3InChIKey
BBMKLTTYCHIKTJ-UHFFFAOYSA-NSynonyms
726201-05-41(benzo(d)thiazol2yl)4isopentyl3methyl1Hpyrazol5(4H)one
2(13benzothiazol2yl)5methyl4(3methylbutyl)24dihydro3Hpyrazol3one
2(13BENZOTHIAZOL2YL)5METHYL4(3METHYLBUTYL)4HPYRAZOL3ONE
726201054
CC1=NN(C(=O)C1CCC(C)C)C2=NC3=CC=CC=C3S2
InChI=1SC16H19N3OSc110(2)891211(3)1819(15(12)20)161713645714(13)2116h471012H89H213H3
MFCD06192335
ZINC000004811038
ZINC000100786046
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