Vitas-M small molecule compound
ethyl (2Z)-2-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164221
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cc(OC)c(c(c1)CC=C)O)/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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-5-10-19-13-17(14-20(33-4)24(19)30)15-21-25(31)29-23(18-11-8-7-9-12-18)22(26(32)34-6-2)16(3)28-27(29)35-21/h5,7-9,11-15,23,30H,1,6,10H2,2-4H3/b21-15-InChIKey
KATPKFLWLKGPSM-QNGOZBTKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(OC)c(c(c1)CC=C)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C(=C4)OC)O)CC=C)S2)C
ETHYL(2Z)2((4HYDROXY3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(4HYDROXY3METHOXY5(PROP2EN1YL)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H26N2O5Sc1510191317(1420(334)24(19)30)152125(31)2923(18118791218)22(26(32)3462)16(3)2827(29)3521h57911152330H1610H224H3b2115
MFCD20731788
ZINC000002797356
ZINC000002797358
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