Vitas-M small molecule compound
ethyl (2E)-7-methyl-3-oxo-2-(3-phenoxybenzylidene)-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK983163
SMILES CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1cccc(c1)Oc1ccccc1)/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 C31H26N2O4S MW 522.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O4S/c1-3-36-30(35)28-21(2)32-31-33(26(28)18-17-22-11-6-4-7-12-22)29(34)27(38-31)20-23-13-10-16-25(19-23)37-24-14-8-5-9-15-24/h4-20,26H,3H2,1-2H3/b18-17+,27-20+InChIKey
ANHLDNCRQHAVPC-BWOFDUAPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1C=Cc1ccccc1)c(=O)c(=Cc1cccc(c1)Oc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C=CC3=CC=CC=C3)C(=O)C(=CC4=CC(=CC=C4)OC5=CC=CC=C5)S2)C
ethyl(2E)7methyl3oxo2((3phenoxyphenyl)methylidene)5((E)2phenylethenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl3oxo2(3phenoxybenzylidene)5((E)2phenylethenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5((1E)2PHENYLVINYL)7METHYL3OXO2((3PHENOXYPHENYL)METHYLENE)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H26N2O4Sc133630(35)2821(2)323133(26(28)181722116471222)29(34)27(3831)202313101625(1923)3724148591524h42026H3H212H3b1817+2720+
MFCD03545939
ZINC000016711591
ZINC000016711593
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