Vitas-M small molecule compound
ethyl (2E)-2-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK007196
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cc(Br)c(c(c1)OC)OCc1cccc3c1cccc3)/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 C35H29BrN2O5S MW 669.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29BrN2O5S/c1-4-42-34(40)30-21(2)37-35-38(31(30)24-12-6-5-7-13-24)33(39)29(44-35)19-22-17-27(36)32(28(18-22)41-3)43-20-25-15-10-14-23-11-8-9-16-26(23)25/h5-19,31H,4,20H2,1-3H3/b29-19+InChIKey
RDMDZHUQYSRYHM-VUTHCHCSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(Br)c(c(c1)OC)OCc1cccc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C(=C4)Br)OCC5=CC=CC6=CC=CC=C65)OC)S2)C
ethyl(2E)2((3bromo5methoxy4(naphthalen1ylmethoxy)phenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(3BROMO5METHOXY4(NAPHTHALEN1YLMETHOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC35H29BrN2O5Sc144234(40)3021(2)373538(31(30)24126571324)33(39)29(4435)19221727(36)32(28(1822)413)4320251510142311891626(23)25h51931H420H213H3b2919+
MFCD01155314
STK007196
ZINC000097957812
ZINC000097957813
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