Vitas-M small molecule compound
(2E,9E)-9-[4-(dimethylamino)benzylidene]-5-[4-(dimethylamino)phenyl]-2-(4-methylbenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL112498
SMILES Cc1ccc(cc1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1ccc(cc1)N(C)C)CCC/C/3=C\c1ccc(cc1)N(C)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 C35H36N4OS MW 560.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N4OS/c1-23-9-11-25(12-10-23)22-31-34(40)39-33(26-15-19-29(20-16-26)38(4)5)30-8-6-7-27(32(30)36-35(39)41-31)21-24-13-17-28(18-14-24)37(2)3/h9-22,33H,6-8H2,1-5H3/b27-21+,31-22+InChIKey
CKBASZHQXNYKCX-XVHNJKGTSA-NSynonyms
(2E9E)5(4(dimethylamino)phenyl)9((4(dimethylamino)phenyl)methylidene)2((4methylphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4(dimethylamino)benzylidene)5(4(dimethylamino)phenyl)2(4methylbenzylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
CC1=CC=C(C=C1)C=C2C(=O)N3C(C4=C(C(=CC5=CC=C(C=C5)N(C)C)CCC4)N=C3S2)C6=CC=C(C=C6)N(C)C
Cc1ccc(cc1)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)N(C)C)CCCC3=Cc1ccc(cc1)N(C)C
InChI=1SC35H36N4OSc12391125(121023)223134(40)3933(26151929(201626)38(4)5)3086727(32(30)3635(39)4131)2124131728(181424)37(2)3h92233H68H215H3b2721+3122+
MFCD03177122
ZINC000097970786
ZINC000097970787
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