Vitas-M small molecule compound
ethyl (2Z)-2-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzylidene]-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK080685
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)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 C28H28N2O5S2 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5S2/c1-6-8-19-13-17(14-21(34-4)25(19)31)15-22-26(32)30-24(18-9-11-20(36-5)12-10-18)23(27(33)35-7-2)16(3)29-28(30)37-22/h6,9-15,24,31H,1,7-8H2,2-5H3/b22-15-InChIKey
KANQYWOJTSLYKC-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1cc(OC)c(c(c1)CC=C)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CC(=C(C(=C4)OC)O)CC=C)S2)C
ETHYL(2Z)2((4HYDROXY3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)7METHYL5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(4HYDROXY3METHOXY5(PROP2EN1YL)BENZYLIDENE)7METHYL5(4(METHYLSULFANYL)PHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H28N2O5S2c168191317(1421(344)25(19)31)152226(32)3024(1891120(365)121018)23(27(33)3572)16(3)2928(30)3722h69152431H178H225H3b2215
MFCD31614363
STK080685
ZINC000109872132
ZINC000109872139
Check stock
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Check stock on Vitas-MAvailable files
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