Vitas-M small molecule compound

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

Catalog ID
STL225026
SMILES Clc1ccc(cc1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(cc3)N(C)C)/C2=N)s1

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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 C21H18ClN5OS MW 423.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5OS/c1-26(2)16-9-5-13(6-10-16)11-17-19(23)27-21(24-20(17)28)29-18(25-27)12-14-3-7-15(22)8-4-14/h3-11,23H,12H2,1-2H3/b17-11+,23-19-
InChIKey
LWYDQCWRVFUXFH-YSCUVDCZSA-N
Synonyms

(6E)2(4chlorobenzyl)6(4(dimethylamino)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(4chlorobenzyl)6(4(dimethylamino)benzylidene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Clc1ccc(cc1)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)N(C)C)C2=N)s1
MFCD24858004
ZINC000080348223

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Available files

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