Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522611
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1cc(n(c1C)c1ccc(c(c1)Cl)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 C31H30Cl2N4O3S MW 609.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30Cl2N4O3S/c1-7-40-30(39)27-18(3)34-31-37(28(27)20-8-10-22(11-9-20)35(5)6)29(38)26(41-31)15-21-14-17(2)36(19(21)4)23-12-13-24(32)25(33)16-23/h8-16,28H,7H2,1-6H3/b26-15-InChIKey
FAJOHXNBFSHIDI-YSMPRRRNSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1cc(n(c1C)c1ccc(c(c1)Cl)Cl)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC(=C(C=C5)Cl)Cl)C)S2)C
ethyl(2Z)2((1(34dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2((1(34dichlorophenyl)25dimethylpyrrol3yl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(34DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H30Cl2N4O3Sc174030(39)2718(3)343137(28(27)2081022(11920)35(5)6)29(38)26(4131)15211417(2)36(19(21)4)23121324(32)25(33)1623h81628H7H216H3b2615
MFCD18157785
ZINC000097966290
ZINC000097966291
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