Vitas-M small molecule compound
methyl (2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK880655
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C\c1ccc(o1)c1ccccc1Cl)/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 C27H21ClN2O4S2 MW 537.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O4S2/c1-15-23(26(32)33-2)24(16-8-11-18(35-3)12-9-16)30-25(31)22(36-27(30)29-15)14-17-10-13-21(34-17)19-6-4-5-7-20(19)28/h4-14,24H,1-3H3/b22-14+InChIKey
NSZWUBZQYHCSBQ-HYARGMPZSA-NSynonyms
611194-34-4611194344
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4Cl)SC2=N1)C5=CC=C(C=C5)SC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1ccc(o1)c1ccccc1Cl)s2
InChI=1SC27H21ClN2O4S2c11523(26(32)332)24(1681118(353)12916)3025(31)22(3627(30)2915)1417101321(3417)19645720(19)28h41424H13H3b2214+
methyl(2E)2((5(2chlorophenyl)furan2yl)methylidene)7methyl5(4(methylsulfanyl)phenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2((5(2chlorophenyl)furan2yl)methylidene)7methyl5(4methylsulfanylphenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2((5(2CHLOROPHENYL)FURAN2YL)METHYLENE)7METHYL5(4(METHYLTHIO)PHENYL)3OXO35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04441260
ZINC000100845678
ZINC000100845680
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