Vitas-M small molecule compound
propan-2-yl (2E)-2-{[5-(3-bromophenyl)furan-2-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798394
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)c1cccc(c1)Br)/s2)C(=O)OC(C)C
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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/c1-16(2)36-28(34)25-17(3)31-29-32(26(25)18-8-10-21(35-4)11-9-18)27(33)24(38-29)15-22-12-13-23(37-22)19-6-5-7-20(30)14-19/h5-16,26H,1-4H3/b24-15+InChIKey
SNXQQZOXIPGASQ-BUVRLJJBSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)Br)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)c1cccc(c1)Br)s2)C(=O)OC(C)C
InChI=1SC29H25BrN2O5Sc116(2)3628(34)2517(3)312932(26(25)1881021(354)11918)27(33)24(3829)1522121323(3722)1965720(30)1419h51626H14H3b2415+
MFCD02190719
propan2yl(2E)2((5(3bromophenyl)furan2yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)2((5(3bromophenyl)furan2yl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100838696
ZINC000100838697
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