Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK676200
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1cc(n(c1C)c1ccc(c(c1)C)I)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 C31H30IN3O3S MW 651.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30IN3O3S/c1-7-38-30(37)27-20(5)33-31-35(28(27)22-10-8-17(2)9-11-22)29(36)26(39-31)16-23-15-19(4)34(21(23)6)24-12-13-25(32)18(3)14-24/h8-16,28H,7H2,1-6H3/b26-16-InChIKey
HCVGMIHRAXXNNP-QQXSKIMKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1cc(n(c1C)c1ccc(c(c1)C)I)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC(=C(C=C5)I)C)C)S2)C
ethyl(2Z)2((1(4iodo3methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)7methyl5(4methylphenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(4IODO3METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)7METHYL5(4METHYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H30IN3O3Sc173830(37)2720(5)333135(28(27)2210817(2)91122)29(36)26(3931)16231519(4)34(21(23)6)24121325(32)18(3)1424h81628H7H216H3b2616
MFCD01140798
ZINC000150368789
ZINC000150368790
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.