Vitas-M small molecule compound
methyl (2Z)-5-amino-6-(1,3-benzothiazol-2-yl)-2-(4-chlorobenzylidene)-7-(4-chlorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK790940
SMILES COC(=O)C1=c2s/c(=C\c3ccc(cc3)Cl)/c(=O)n2C(=C(C1c1ccc(cc1)Cl)c1nc2c(s1)cccc2)N
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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 C29H19Cl2N3O3S2 MW 592.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19Cl2N3O3S2/c1-37-29(36)24-22(16-8-12-18(31)13-9-16)23(26-33-19-4-2-3-5-20(19)38-26)25(32)34-27(35)21(39-28(24)34)14-15-6-10-17(30)11-7-15/h2-14,22H,32H2,1H3/b21-14-InChIKey
XJUCMPNCUUPMFD-STZFKDTASA-NSynonyms
(Z)methyl5amino6(benzo(d)thiazol2yl)2(4chlorobenzylidene)7(4chlorophenyl)3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
COC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5S4)N)C(=O)C(=CC6=CC=C(C=C6)Cl)S2
COC(=O)C1=c2sc(=Cc3ccc(cc3)Cl)c(=O)n2C(=C(C1c1ccc(cc1)Cl)c1nc2c(s1)cccc2)N
InChI=1SC29H19Cl2N3O3S2c13729(36)2422(1681218(31)13916)23(263319423520(19)3826)25(32)3427(35)21(3928(24)34)141561017(30)11715h21422H32H21H3b2114
methyl(2Z)5amino6(13benzothiazol2yl)2(4chlorobenzylidene)7(4chlorophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
METHYL(2Z)5AMINO6(13BENZOTHIAZOL2YL)7(4CHLOROPHENYL)2((4CHLOROPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
MFCD01789471
ZINC000102783525
ZINC000102783529
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