Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-(2,4-dimethoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK057176
SMILES COc1ccc(c(c1)OC)/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/c1-17-8-12-20(13-9-17)34-16-23-21(14-18-10-11-19(32-2)15-24(18)33-3)26(31)30(29-23)27-28-22-6-4-5-7-25(22)35-27/h4-15H,16H2,1-3H3/b21-14+
InChIKey
VLZZAQRGPWWZAR-KGENOOAVSA-N
Synonyms
337341-94-3
(4E)2(13BENZOTHIAZOL2YL)4((24DIMETHOXYPHENYL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(24DIMETHOXYBENZYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(24dimethoxybenzylidene)3((ptolylthio)methyl)1Hpyrazol5(4H)one
337341943
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=C(C=C(C=C3)OC)OC)C4=NC5=CC=CC=C5S4
COc1ccc(c(c1)OC)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
InChI=1SC27H23N3O3S2c11781220(13917)34162321(1418101119(322)1524(18)333)26(31)30(2923)272822645725(22)3527h415H16H213H3b2114+
MFCD01811116
STK057176
ZINC000100701870
ZINC100701870

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Available files

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