Vitas-M small molecule compound
ethyl (2Z)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL381678
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1)Br)/s2
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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 C29H25BrN2O5S MW 593.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN2O5S/c1-4-35-21-12-8-19(9-13-21)26-25(28(34)36-5-2)17(3)31-29-32(26)27(33)24(38-29)16-22-14-15-23(37-22)18-6-10-20(30)11-7-18/h6-16,26H,4-5H2,1-3H3/b24-16-InChIKey
MLEQNPXXZKOTEU-JLPGSUDCSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)Br)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)Br)S3)C)C(=O)OCC
ethyl(2Z)2((5(4bromophenyl)furan2yl)methylidene)5(4ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2((5(4bromophenyl)furan2yl)methylidene)5(4ethoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H25BrN2O5Sc14352112819(91321)2625(28(34)3652)17(3)312932(26)27(33)24(3829)1622141523(3722)1861020(30)11718h61626H45H213H3b2416
MFCD06760571
ZINC000101097432
ZINC000101097434
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