Vitas-M small molecule compound

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

Catalog ID
STK621652
SMILES O=C1CC(C(=O)N1c1ccccc1)c1c(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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c1-12-18(14-11-17(26)24(19(14)27)13-7-3-2-4-8-13)20(28)25(23-12)21-22-15-9-5-6-10-16(15)29-21/h2-10,14,23H,11H2,1H3
InChIKey
JXUYGVUCRYINGY-UHFFFAOYSA-N
Synonyms
944788-31-2
3(1BENZOTHIAZOL2YL5HYDROXY3METHYLPYRAZOL4YL)1PHENYLAZOLIDINE25DIONE
3(2(13benzothiazol2yl)5methyl3oxo1Hpyrazol4yl)1phenylpyrrolidine25dione
3(2(13benzothiazol2yl)5methyl3oxo23dihydro1Hpyrazol4yl)1phenylpyrrolidine25dione
944788312
CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4CC(=O)N(C4=O)C5=CC=CC=C5
InChI=1SC21H16N4O3Sc11218(141117(26)24(19(14)27)137324813)20(28)25(2312)2122159561016(15)2921h2101423H11H21H3
MFCD09791734
O=C1CC(C(=O)N1c1ccccc1)c1c(C)(nH)n(c1=O)c1nc2c(s1)cccc2
ZINC000013626302
ZINC000102721078

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Available files

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