Vitas-M small molecule compound

3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]propanenitrile

Catalog ID
STK627359
SMILES N#CCCc1c(C)[nH]n(c1=O)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 C14H12N4OS MW 284.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4OS/c1-9-10(5-4-8-15)13(19)18(17-9)14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,17H,4-5H2,1H3
InChIKey
HGTVTJWWZHYAQS-UHFFFAOYSA-N
Synonyms
944782-85-8
3(1BENZOTHIAZOL2YL5HYDROXY3METHYLPYRAZOL4YL)PROPANENITRILE
3(2(13benzothiazol2yl)5methyl3oxo1Hpyrazol4yl)propanenitrile
3(2(13benzothiazol2yl)5methyl3oxo23dihydro1Hpyrazol4yl)propanenitrile
944782858
CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CCC#N
InChI=1SC14H12N4OSc1910(54815)13(19)18(179)141611623712(11)2014h236717H45H21H3
MFCD09797863
N#CCCc1c(C)(nH)n(c1=O)c1nc2c(s1)cccc2
ZINC000009418880
ZINC09418880
ZINC100134608
ZINC9418880

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Available files

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