Vitas-M small molecule compound
(2E,9E)-2-benzylidene-9-[4-(dimethylamino)benzylidene]-5-[4-(dimethylamino)phenyl]-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115188
SMILES CN(c1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccccc1)/s3)/C(=C/c1ccc(cc1)N(C)C)/CCC2)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 C34H34N4OS MW 546.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4OS/c1-36(2)27-17-13-24(14-18-27)21-26-11-8-12-29-31(26)35-34-38(32(29)25-15-19-28(20-16-25)37(3)4)33(39)30(40-34)22-23-9-6-5-7-10-23/h5-7,9-10,13-22,32H,8,11-12H2,1-4H3/b26-21+,30-22+InChIKey
ZPUCTMFNERYKMJ-IIDZOQSZSA-NSynonyms
(2E9E)2benzylidene5(4(dimethylamino)phenyl)9((4(dimethylamino)phenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2benzylidene9(4(dimethylamino)benzylidene)5(4(dimethylamino)phenyl)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
CN(C)C1=CC=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC=C(C=C5)N(C)C)C(=O)C(=CC6=CC=CC=C6)S4
CN(c1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccccc1)s3)C(=Cc1ccc(cc1)N(C)C)CCC2)C
InChI=1SC34H34N4OSc136(2)27171324(141827)2126118122931(26)353438(32(29)25151928(201625)37(3)4)33(39)30(4034)222396571023h57910132232H81112H214H3b2621+3022+
MFCD03177145
ZINC000096022632
ZINC000097970871
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