Vitas-M small molecule compound
ethyl (2Z)-2-(3-bromo-4-hydroxybenzylidene)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL405934
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1ccc(c(c1)Br)O)/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 C26H25BrN2O4S MW 541.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O4S/c1-5-33-25(32)22-15(4)28-26-29(23(22)18-9-7-17(8-10-18)14(2)3)24(31)21(34-26)13-16-6-11-20(30)19(27)12-16/h6-14,23,30H,5H2,1-4H3/b21-13-InChIKey
UJZCLYYQQQKZNO-BKUYFWCQSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1ccc(c(c1)Br)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)C)C(=O)C(=CC4=CC(=C(C=C4)O)Br)S2)C
ethyl(2Z)2((3bromo4hydroxyphenyl)methylidene)7methyl3oxo5(4propan2ylphenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(3bromo4hydroxybenzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H25BrN2O4Sc153325(32)2215(4)282629(23(22)189717(81018)14(2)3)24(31)21(3426)131661120(30)19(27)1216h6142330H5H214H3b2113
MFCD02313033
ZINC000107800319
ZINC000107800324
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