Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-{4-[(furan-2-ylcarbonyl)oxy]phenyl}-2-(4-iodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK702840
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)/c(=C/c1ccc(cc1)I)/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 C29H21IN2O6S MW 652.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21IN2O6S/c1-3-14-37-28(35)24-17(2)31-29-32(26(33)23(39-29)16-18-6-10-20(30)11-7-18)25(24)19-8-12-21(13-9-19)38-27(34)22-5-4-15-36-22/h3-13,15-16,25H,1,14H2,2H3/b23-16-InChIKey
ZBSBFOGHEDROLD-KQWNVCNZSA-NSynonyms
(E)allyl5(4((furan2carbonyl)oxy)phenyl)2(4iodobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)c(=Cc1ccc(cc1)I)s2
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)I)SC2=N1)C4=CC=C(C=C4)OC(=O)C5=CC=CO5)C(=O)OCC=C
InChI=1SC29H21IN2O6Sc13143728(35)2417(2)312932(26(33)23(3929)161861020(30)11718)25(24)1981221(13919)3827(34)2254153622h313151625H114H22H3b2316
MFCD03226049
prop2en1yl(2Z)5(4((furan2ylcarbonyl)oxy)phenyl)2(4iodobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4(FURAN2CARBONYLOXY)PHENYL)2((4IODOPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097946115
ZINC000097946116
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