Vitas-M small molecule compound
ethyl (2E)-2-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-oxo-5,7-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL181401
SMILES C#CCOc1c(Br)cc(cc1OC)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)OCC)c1ccccc1
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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 C32H25BrN2O5S MW 629.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25BrN2O5S/c1-4-16-40-29-23(33)17-20(18-24(29)38-3)19-25-30(36)35-28(22-14-10-7-11-15-22)26(31(37)39-5-2)27(34-32(35)41-25)21-12-8-6-9-13-21/h1,6-15,17-19,28H,5,16H2,2-3H3/b25-19+InChIKey
NPJAVYXEVSMVJR-NCELDCMTSA-NSynonyms
C#CCOc1c(Br)cc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)OCC)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C(=C4)Br)OCC#C)OC)S2)C5=CC=CC=C5
ethyl(2E)2((3bromo5methoxy4prop2ynoxyphenyl)methylidene)3oxo57diphenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(3bromo5methoxy4(prop2yn1yloxy)benzylidene)3oxo57diphenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H25BrN2O5Sc1416402923(33)1720(1824(29)383)192530(36)3528(2214107111522)26(31(37)3952)27(3432(35)4125)21128691321h1615171928H516H223H3b2519+
MFCD02609204
ZINC000098045921
ZINC000098045922
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