Vitas-M small molecule compound

4-(1,3-benzothiazol-2-yl)-5-(2,4-dihydroxy-3-methylphenyl)-1H-pyrazole-3-carboxylic acid

Catalog ID
STK564474
SMILES OC(=O)c1n[nH]c(c1c1nc2c(s1)cccc2)c1ccc(c(c1O)C)O

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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 C18H13N3O4S MW 367.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O4S/c1-8-11(22)7-6-9(16(8)23)14-13(15(18(24)25)21-20-14)17-19-10-4-2-3-5-12(10)26-17/h2-7,22-23H,1H3,(H,20,21)(H,24,25)
InChIKey
XYJXIVSBKDRSQY-UHFFFAOYSA-N
Synonyms
384367-09-3
384367093
4(13benzothiazol2yl)5(24dihydroxy3methylphenyl)1Hpyrazole3carboxylicacid
4(benzo(d)thiazol2yl)3(24dihydroxy3methylphenyl)1Hpyrazole5carboxylicacid
MFCD03808103
OC(=O)c1(nH)nc(c1c1nc2c(s1)cccc2)c1ccc(c(c1O)C)O
OC(=O)c1n(nH)c(c1c1nc2c(s1)cccc2)c1ccc(c(c1O)C)O
ZINC000006812752

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Available files

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