Vitas-M small molecule compound
ethyl (2E)-7-methyl-3-oxo-2-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-5-[2-(propan-2-yloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL381804
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C\c1ccc(o1)N1CCCCC1)/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 C29H33N3O5S MW 535.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5S/c1-5-35-28(34)25-19(4)30-29-32(26(25)21-11-7-8-12-22(21)36-18(2)3)27(33)23(38-29)17-20-13-14-24(37-20)31-15-9-6-10-16-31/h7-8,11-14,17-18,26H,5-6,9-10,15-16H2,1-4H3/b23-17+InChIKey
ONDLTBGKQLZITI-HAVVHWLPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)c(=Cc1ccc(o1)N1CCCCC1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)C(=CC4=CC=C(O4)N5CCCCC5)S2)C
ethyl(2E)7methyl3oxo2((5(piperidin1yl)furan2yl)methylidene)5(2(propan2yloxy)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl3oxo2((5piperidin1ylfuran2yl)methylidene)5(2propan2yloxyphenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(2ISOPROPOXYPHENYL)7METHYL3OXO2((5(1PIPERIDINYL)2FURYL)METHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL7METHYL5(2(METHYLETHOXY)PHENYL)3OXO2((5PIPERIDYL(2FURYL))METHYLENE)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H33N3O5Sc153528(34)2519(4)302932(26(25)2111781222(21)3618(2)3)27(33)23(3829)1720131424(3720)311596101631h781114171826H569101516H214H3b2317+
MFCD02945834
ZINC000008454175
ZINC000008454176
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