Vitas-M small molecule compound
ethyl (2Z)-2-[5-methoxy-2-(prop-2-yn-1-yloxy)benzylidene]-7-methyl-5-(naphthalen-1-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK264022
SMILES C#CCOc1ccc(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccc2c1cccc2)C(=O)OCC)C)OC
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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 C31H26N2O5S MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5S/c1-5-16-38-25-15-14-22(36-4)17-21(25)18-26-29(34)33-28(24-13-9-11-20-10-7-8-12-23(20)24)27(30(35)37-6-2)19(3)32-31(33)39-26/h1,7-15,17-18,28H,6,16H2,2-4H3/b26-18-InChIKey
ABTOYFPBSWHVMV-ITYLOYPMSA-NSynonyms
C#CCOc1ccc(cc1C=c1sc2=NC(=C(C(n2c1=O)c1cccc2c1cccc2)C(=O)OCC)C)OC
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC4=CC=CC=C43)C(=O)C(=CC5=C(C=CC(=C5)OC)OCC#C)S2)C
ethyl(2Z)2((5methoxy2prop2ynoxyphenyl)methylidene)7methyl5naphthalen1yl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(5METHOXY2(PROP2YN1YLOXY)BENZYLIDENE)7METHYL5(NAPHTHALEN1YL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H26N2O5Sc15163825151422(364)1721(25)182629(34)3328(24139112010781223(20)24)27(30(35)3762)19(3)3231(33)3926h1715171828H616H224H3b2618
MFCD08672187
ZINC000102413284
ZINC000102413288
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