Vitas-M small molecule compound
(2E,9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-(2-fluorobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115169
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccccc1F)/s3)/C(=C/c1ccc(cc1)Cl)/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 C30H21Cl2FN2OS MW 547.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21Cl2FN2OS/c31-22-12-8-18(9-13-22)16-21-5-3-6-24-27(21)34-30-35(28(24)19-10-14-23(32)15-11-19)29(36)26(37-30)17-20-4-1-2-7-25(20)33/h1-2,4,7-17,28H,3,5-6H2/b21-16+,26-17+InChIKey
ZZRJFQMBPMCXNS-ZDCPBAQHSA-NSynonyms
(2E9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)2((2fluorophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4chlorobenzylidene)5(4chlorophenyl)2(2fluorobenzylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N4C(=O)C(=CC5=CC=CC=C5F)SC4=N3)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccccc1F)s3)C(=Cc1ccc(cc1)Cl)CCC2
InChI=1SC30H21Cl2FN2OSc312212818(91322)16215362427(21)343035(28(24)19101423(32)151119)29(36)26(3730)1720412725(20)33h12471728H356H2b2116+2617+
MFCD06327163
ZINC000096022382
ZINC000097970852
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