Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK079313
SMILES COc1ccc(cc1O)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)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 C26H21N3O3S2 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O3S2/c1-16-7-10-18(11-8-16)33-15-21-19(13-17-9-12-23(32-2)22(30)14-17)25(31)29(28-21)26-27-20-5-3-4-6-24(20)34-26/h3-14,30H,15H2,1-2H3/b19-13-InChIKey
OSSVXNIFVBTEAV-UYRXBGFRSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4((3HYDROXY4METHOXYPHENYL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(3HYDROXY4METHOXYBENZYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CC(=C(C=C3)OC)O)C4=NC5=CC=CC=C5S4
COc1ccc(cc1O)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
InChI=1SC26H21N3O3S2c11671018(11816)33152119(131791223(322)22(30)1417)25(31)29(2821)262720534624(20)3426h31430H15H212H3b1913
MFCD03033243
STK079313
ZINC000009660134
ZINC09660134
ZINC9660134
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