Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164189
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cc(n(c1C)c1ccc(cc1)Cl)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 C30H28ClN3O4S MW 562.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O4S/c1-6-38-29(36)26-18(3)32-30-34(27(26)20-7-13-24(37-5)14-8-20)28(35)25(39-30)16-21-15-17(2)33(19(21)4)23-11-9-22(31)10-12-23/h7-16,27H,6H2,1-5H3/b25-16-InChIKey
ICCWAKTUEASIHF-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)Cl)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)Cl)C)S2)C
ethyl(2Z)2((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H28ClN3O4Sc163829(36)2618(3)323034(27(26)2071324(375)14820)28(35)25(3930)16211517(2)33(19(21)4)2311922(31)101223h71627H6H215H3b2516
MFCD01592607
ZINC000002063329
ZINC000002063331
Check stock
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Check stock on Vitas-MAvailable files
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