Vitas-M small molecule compound
(2E,9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-(2-methylbenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL112497
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccccc1C)/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 C31H24Cl2N2OS MW 543.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24Cl2N2OS/c1-19-5-2-3-6-22(19)18-27-30(36)35-29(21-11-15-25(33)16-12-21)26-8-4-7-23(28(26)34-31(35)37-27)17-20-9-13-24(32)14-10-20/h2-3,5-6,9-18,29H,4,7-8H2,1H3/b23-17+,27-18+InChIKey
DUXSLHJBYRVAPZ-VGSHJCNZSA-NSynonyms
(2E9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)2((2methylphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4chlorobenzylidene)5(4chlorophenyl)2(2methylbenzylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
CC1=CC=CC=C1C=C2C(=O)N3C(C4=C(C(=CC5=CC=C(C=C5)Cl)CCC4)N=C3S2)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccccc1C)s3)C(=Cc1ccc(cc1)Cl)CCC2
InChI=1SC31H24Cl2N2OSc119523622(19)182730(36)3529(21111525(33)161221)2684723(28(26)3431(35)3727)172091324(32)141020h235691829H478H21H3b2317+2718+
MFCD03177120
ZINC000097970784
ZINC000097970785
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