Vitas-M small molecule compound

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

Catalog ID
STK158399
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)N(C)C)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 C27H24N4OS2 MW 484.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4OS2/c1-18-8-14-21(15-9-18)33-17-24-22(16-19-10-12-20(13-11-19)30(2)3)26(32)31(29-24)27-28-23-6-4-5-7-25(23)34-27/h4-16H,17H2,1-3H3/b22-16-
InChIKey
QITYPKWDOZQYNA-JWGURIENSA-N
Synonyms

(4Z)2(13benzothiazol2yl)4((4(dimethylamino)phenyl)methylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4((4DIMETHYLAMINOPHENYL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(4(DIMETHYLAMINO)BENZYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CC=C(C=C3)N(C)C)C4=NC5=CC=CC=C5S4
Cc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1nc2c(s1)cccc2
InChI=1SC27H24N4OS2c11881421(15918)33172422(1619101220(131119)30(2)3)26(32)31(2924)272823645725(23)3427h416H17H213H3b2216
MFCD08679371
ZINC000009721119
ZINC09721119
ZINC9721119

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Available files

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