Vitas-M small molecule compound
(2E,9E)-2-(4-bromobenzylidene)-9-(4-ethoxybenzylidene)-5-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115181
SMILES CCOc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(cc1)Br)/s3)/C(=C/c1ccc(cc1)OCC)/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 C34H31BrN2O3S MW 627.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31BrN2O3S/c1-3-39-27-16-10-22(11-17-27)20-25-6-5-7-29-31(25)36-34-37(32(29)24-12-18-28(19-13-24)40-4-2)33(38)30(41-34)21-23-8-14-26(35)15-9-23/h8-21,32H,3-7H2,1-2H3/b25-20+,30-21+InChIKey
VDRGEXBUIJLWFO-NEYSBOPRSA-NSynonyms
(2E9E)2((4bromophenyl)methylidene)5(4ethoxyphenyl)9((4ethoxyphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2(4bromobenzylidene)9(4ethoxybenzylidene)5(4ethoxyphenyl)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
CCOC1=CC=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC=C(C=C5)OCC)C(=O)C(=CC6=CC=C(C=C6)Br)S4
CCOc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1)Br)s3)C(=Cc1ccc(cc1)OCC)CCC2
InChI=1SC34H31BrN2O3Sc133927161022(111727)20256572931(25)363437(32(29)24121828(191324)4042)33(38)30(4134)212381426(35)15923h82132H37H212H3b2520+3021+
MFCD03177136
ZINC000097970861
ZINC000097970862
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