Vitas-M small molecule compound

(6E)-2-(4-chlorobenzyl)-6-[4-(diethylamino)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Catalog ID
STL225047
SMILES CCN(c1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccc(cc1)Cl)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 C23H22ClN5OS MW 451.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5OS/c1-3-28(4-2)18-11-7-15(8-12-18)13-19-21(25)29-23(26-22(19)30)31-20(27-29)14-16-5-9-17(24)10-6-16/h5-13,25H,3-4,14H2,1-2H3/b19-13+,25-21-
InChIKey
CYIUMJYZAFBYRU-GIKHBHGASA-N
Synonyms

(6E)2(4chlorobenzyl)6(4(diethylamino)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(4chlorobenzyl)6(4(diethylamino)benzylidene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCN(c1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1ccc(cc1)Cl)CC
MFCD24858014
ZINC000080348253

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Available files

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