Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK741773
SMILES CCN(c1ccc(cc1)/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)CC
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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 C29H28N4OS2 MW 512.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4OS2/c1-4-32(5-2)22-14-12-21(13-15-22)18-24-26(19-35-23-16-10-20(3)11-17-23)31-33(28(24)34)29-30-25-8-6-7-9-27(25)36-29/h6-18H,4-5,19H2,1-3H3/b24-18+InChIKey
TYVMLCZAQHKZIS-HKOYGPOVSA-NSynonyms
353771-88-7(4E)2(13BENZOTHIAZOL2YL)4((4(DIETHYLAMINO)PHENYL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(4(diethylamino)benzylidene)5(((4methylphenyl)sulfanyl)methyl)24dihydro3Hpyrazol3one
(E)1(benzo(d)thiazol2yl)4(4(diethylamino)benzylidene)3((ptolylthio)methyl)1Hpyrazol5(4H)one
2(13BENZOTHIAZOL2YL)4(4(DIETHYLAMINO)BENZYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
353771887
CCN(c1ccc(cc1)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)CC
CCN(CC)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)C
InChI=1SC29H28N4OS2c1432(52)22141221(131522)182426(193523161020(3)111723)3133(28(24)34)293025867927(25)3629h618H4519H213H3b2418+
MFCD01811115
ZINC000008443824
ZINC08443824
ZINC8443824
Check stock
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Check stock on Vitas-MAvailable files
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