Vitas-M small molecule compound
ethyl (2E)-2-(anthracen-9-ylmethylidene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407018
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1c3ccccc3cc3c1cccc3)/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 C32H26N2O4S MW 534.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N2O4S/c1-4-38-31(36)28-19(2)33-32-34(29(28)24-15-9-10-16-26(24)37-3)30(35)27(39-32)18-25-22-13-7-5-11-20(22)17-21-12-6-8-14-23(21)25/h5-18,29H,4H2,1-3H3/b27-18+InChIKey
KLYMVVZVIGMDOK-OVVQPSECSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1c3ccccc3cc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=C5C=CC=CC5=CC6=CC=CC=C64)S2)C
ethyl(2E)2(anthracen9ylmethylidene)5(2methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(anthracen9ylmethylidene)5(2methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H26N2O4Sc143831(36)2819(2)333234(29(28)24159101626(24)373)30(35)27(3932)18252213751120(22)172112681423(21)25h51829H4H213H3b2718+
MFCD04083824
ZINC000100185873
ZINC000100185876
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