Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674863
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)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 C31H28IN3O5S MW 681.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28IN3O5S/c1-6-38-30(37)27-18(4)33-31-35(28(27)20-7-10-24-25(13-20)40-15-39-24)29(36)26(41-31)14-21-12-17(3)34(19(21)5)22-8-9-23(32)16(2)11-22/h7-14,28H,6,15H2,1-5H3/b26-14+InChIKey
VFBAONUWCDAPNR-VULFUBBASA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cc(n(c1C)c1ccc(c(c1)C)I)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=C(N(C(=C5)C)C6=CC(=C(C=C6)I)C)C)S2)C
ethyl(2E)5(13benzodioxol5yl)2((1(4iodo3methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(13BENZODIOXOL5YL)2((1(4IODO3METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(13BENZODIOXOL5YL)2((1(4IODO3METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H28IN3O5Sc163830(37)2718(4)333135(28(27)207102425(1320)40153924)29(36)26(4131)14211217(3)34(19(21)5)228923(32)16(2)1122h71428H615H215H3b2614+
MFCD01460974
ZINC000008407844
ZINC000008407846
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