Vitas-M small molecule compound
ethyl (2Z)-2-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-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
STL405935
SMILES CCOc1cc(ccc1OCC#C)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C(C)C)C(=O)OCC)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 C31H32N2O5S MW 544.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O5S/c1-7-16-38-24-15-10-21(17-25(24)36-8-2)18-26-29(34)33-28(23-13-11-22(12-14-23)19(4)5)27(30(35)37-9-3)20(6)32-31(33)39-26/h1,10-15,17-19,28H,8-9,16H2,2-6H3/b26-18-InChIKey
OXURTYBRASZEJH-ITYLOYPMSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)C(C)C)OCC#C
CCOc1cc(ccc1OCC#C)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C(C)C)C(=O)OCC)C
ethyl(2Z)2((3ethoxy4prop2ynoxyphenyl)methylidene)7methyl3oxo5(4propan2ylphenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(3ethoxy4(prop2yn1yloxy)benzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H32N2O5Sc17163824151021(1725(24)3682)182629(34)3328(23131122(121423)19(4)5)27(30(35)3793)20(6)3231(33)3926h11015171928H8916H226H3b2618
MFCD30704388
ZINC000110290648
ZINC000110290656
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