Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(3-hydroxypropyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK868295
SMILES OCCC/N=C/c1c(CSc2ccc(cc2)Cl)[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 C21H19ClN4O2S2 MW 458.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S2/c22-14-6-8-15(9-7-14)29-13-18-16(12-23-10-3-11-27)20(28)26(25-18)21-24-17-4-1-2-5-19(17)30-21/h1-2,4-9,12,25,27H,3,10-11,13H2/b23-12+InChIKey
HQJGZNAVSOXLPV-FSJBWODESA-NSynonyms
371940-02-2(E)2(benzo(d)thiazol2yl)5(((4chlorophenyl)thio)methyl)4(((3hydroxypropyl)imino)methyl)1Hpyrazol3(2H)one
371940022
MFCD01811099
OCCCN=Cc1c(CSc2ccc(cc2)Cl)(nH)n(c1=O)c1nc2c(s1)cccc2
ZINC000002268321
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