Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-(4-chlorophenyl)-7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK981531
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1ccc(o1)C)/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 C23H19ClN2O4S MW 454.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O4S/c1-4-11-29-22(28)19-14(3)25-23-26(20(19)15-6-8-16(24)9-7-15)21(27)18(31-23)12-17-10-5-13(2)30-17/h4-10,12,20H,1,11H2,2-3H3/b18-12-InChIKey
WONPPVHNQVJAGF-PDGQHHTCSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(o1)C)s2
CC1=CC=C(O1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC=C)C4=CC=C(C=C4)Cl
InChI=1SC23H19ClN2O4Sc14112922(28)1914(3)252326(20(19)156816(24)9715)21(27)18(3123)121710513(2)3017h4101220H111H223H3b1812
MFCD18181334
prop2en1yl(2Z)5(4chlorophenyl)7methyl2((5methylfuran2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)5(4chlorophenyl)7methyl2((5methylfuran2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000002106873
ZINC000002106876
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