Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK676383
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)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 C32H32ClN3O3S MW 574.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32ClN3O3S/c1-7-39-31(38)28-20(5)34-32-36(29(28)23-10-8-22(9-11-23)18(2)3)30(37)27(40-32)17-24-16-19(4)35(21(24)6)26-14-12-25(33)13-15-26/h8-18,29H,7H2,1-6H3/b27-17-InChIKey
SCNNFRLBICUVCB-PKAZHMFMSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)Cl)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)C)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)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((1(4CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)5(4ISOPROPYLPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H32ClN3O3Sc173931(38)2820(5)343236(29(28)2310822(91123)18(2)3)30(37)27(4032)17241619(4)35(21(24)6)26141225(33)131526h81829H7H216H3b2717
MFCD01872153
ZINC000002186290
ZINC000002186292
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