Vitas-M small molecule compound
methyl (2E)-2-(3-chlorobenzylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK880657
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C\c1cccc(c1)Cl)/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 C23H19ClN2O3S2 MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O3S2/c1-13-19(22(28)29-2)20(15-7-9-17(30-3)10-8-15)26-21(27)18(31-23(26)25-13)12-14-5-4-6-16(24)11-14/h4-12,20H,1-3H3/b18-12+InChIKey
MWNRFYZXNPBGIT-LDADJPATSA-NSynonyms
612076-56-9612076569
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Cl)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1cccc(c1)Cl)s2
InChI=1SC23H19ClN2O3S2c11319(22(28)292)20(157917(303)10815)2621(27)18(3123(26)2513)121454616(24)1114h41220H13H3b1812+
methyl(2E)2((3chlorophenyl)methylidene)7methyl5(4methylsulfanylphenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(3chlorobenzylidene)7methyl5(4(methylsulfanyl)phenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(3CHLOROBENZYLIDENE)7METHYL5(4(METHYLTHIO)PHENYL)3OXO35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04441261
ZINC000016711738
ZINC000016711740
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