Vitas-M small molecule compound
(2E,9E)-2-benzylidene-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115166
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccccc1)/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 C30H22Cl2N2OS MW 529.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22Cl2N2OS/c31-23-13-9-20(10-14-23)17-22-7-4-8-25-27(22)33-30-34(28(25)21-11-15-24(32)16-12-21)29(35)26(36-30)18-19-5-2-1-3-6-19/h1-3,5-6,9-18,28H,4,7-8H2/b22-17+,26-18+InChIKey
FILZHNLTIIGSPU-VWLIMRMXSA-NSynonyms
(2E9E)2benzylidene5(4chlorophenyl)9((4chlorophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2benzylidene9(4chlorobenzylidene)5(4chlorophenyl)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N4C(=O)C(=CC5=CC=CC=C5)SC4=N3)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccccc1)s3)C(=Cc1ccc(cc1)Cl)CCC2
InChI=1SC30H22Cl2N2OSc312313920(101423)17227482527(22)333034(28(25)21111524(32)161221)29(35)26(3630)18195213619h135691828H478H2b2217+2618+
MFCD01103824
ZINC000102901952
ZINC000102901953
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