Vitas-M small molecule compound
ethyl (2Z)-2-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522631
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cc(I)c(c(c1)OC)OCc1ccccc1)/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 C32H29IN2O6S MW 696.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29IN2O6S/c1-5-40-31(37)27-19(2)34-32-35(28(27)22-11-13-23(38-3)14-12-22)30(36)26(42-32)17-21-15-24(33)29(25(16-21)39-4)41-18-20-9-7-6-8-10-20/h6-17,28H,5,18H2,1-4H3/b26-17-InChIKey
ZNENVFOCSWBXAM-ONUIUJJFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C(=C4)I)OCC5=CC=CC=C5)OC)S2)C
ethyl(2Z)2((3iodo5methoxy4phenylmethoxyphenyl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(4(benzyloxy)3iodo5methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H29IN2O6Sc154031(37)2719(2)343235(28(27)22111323(383)141222)30(36)26(4232)17211524(33)29(25(1621)394)41182097681020h61728H518H214H3b2617
MFCD02378735
ZINC000150439300
ZINC000150439302
Check stock
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Check stock on Vitas-MAvailable files
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