Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK007197
SMILES COc1cc(ccc1OC)/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 C27H23N3O3S2 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S2/c1-17-8-11-19(12-9-17)34-16-22-20(14-18-10-13-23(32-2)24(15-18)33-3)26(31)30(29-22)27-28-21-6-4-5-7-25(21)35-27/h4-15H,16H2,1-3H3/b20-14+InChIKey
HAUKHHGLUBTHDF-XSFVSMFZSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4((34DIMETHOXYPHENYL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(34DIMETHOXYBENZYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CC(=C(C=C3)OC)OC)C4=NC5=CC=CC=C5S4
COc1cc(ccc1OC)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
InChI=1SC27H23N3O3S2c11781119(12917)34162220(1418101323(322)24(1518)333)26(31)30(2922)272821645725(21)3527h415H16H213H3b2014+
MFCD08049247
STK007197
ZINC000101381328
ZINC101381328
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