Vitas-M small molecule compound
ethyl (2Z)-2-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522617
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1cc(I)c(c(c1)OCC)O)/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 C23H21IN2O5S2 MW 596.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21IN2O5S2/c1-4-30-15-10-13(9-14(24)20(15)27)11-17-21(28)26-19(16-7-6-8-32-16)18(22(29)31-5-2)12(3)25-23(26)33-17/h6-11,19,27H,4-5H2,1-3H3/b17-11-InChIKey
NWCATMGOOWODBY-BOPFTXTBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cc(I)c(c(c1)OCC)O)s2
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CS4)I)O
ETHYL(2Z)2((3ETHOXY4HYDROXY5IODOPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3ethoxy4hydroxy5iodobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H21IN2O5S2c1430151013(914(24)20(15)27)111721(28)2619(167683216)18(22(29)3152)12(3)2523(26)3317h6111927H45H213H3b1711
MFCD02378717
ZINC000000707224
ZINC000000707226
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