Vitas-M small molecule compound
(2E,9E)-2-(3-bromobenzylidene)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115182
SMILES Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cccc(c1)Br)/s3)/C(=C/c1ccc(cc1)F)/CCC2
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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 C30H21BrF2N2OS MW 575.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21BrF2N2OS/c31-22-5-1-3-19(16-22)17-26-29(36)35-28(20-9-13-24(33)14-10-20)25-6-2-4-21(27(25)34-30(35)37-26)15-18-7-11-23(32)12-8-18/h1,3,5,7-17,28H,2,4,6H2/b21-15+,26-17+InChIKey
JPGKJFJHNKNDST-WTUKZMCFSA-NSynonyms
(2E9E)2((3bromophenyl)methylidene)5(4fluorophenyl)9((4fluorophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2(3bromobenzylidene)9(4fluorobenzylidene)5(4fluorophenyl)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)F)C3=C(C1)C(N4C(=O)C(=CC5=CC(=CC=C5)Br)SC4=N3)C6=CC=C(C=C6)F
Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cccc(c1)Br)s3)C(=Cc1ccc(cc1)F)CCC2
InChI=1SC30H21BrF2N2OSc312251319(1622)172629(36)3528(2091324(33)141020)2562421(27(25)3430(35)3726)151871123(32)12818h13571728H246H2b2115+2617+
MFCD20731951
ZINC000097970863
ZINC000097970864
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