Vitas-M small molecule compound
ethyl (2E)-2-[2,4-bis(acetyloxy)benzylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK726630
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C\c1ccc(cc1OC(=O)C)OC(=O)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 C27H23ClN2O7S MW 555.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O7S/c1-5-35-26(34)23-14(2)29-27-30(24(23)19-8-6-7-9-20(19)28)25(33)22(38-27)12-17-10-11-18(36-15(3)31)13-21(17)37-16(4)32/h6-13,24H,5H2,1-4H3/b22-12+InChIKey
BMIUADKJSQJMQB-WSDLNYQXSA-NSynonyms
(Z)4((5(2chlorophenyl)6(ethoxycarbonyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidin2ylidene)methyl)13phenylenediacetate
4((5(2CHLOROPHENYL)6(ETHOXYCARBONYL)7METHYL3OXO35DIHYDRO2HTHIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)13PHENYLENEDIACETATE
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(cc1OC(=O)C)OC(=O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=C(C=C(C=C4)OC(=O)C)OC(=O)C)S2)C
ethyl(2E)2(24bis(acetyloxy)benzylidene)5(2chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(2CHLOROPHENYL)2((24DIACETYLOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H23ClN2O7Sc153526(34)2314(2)292730(24(23)19867920(19)28)25(33)22(3827)1217101118(3615(3)31)1321(17)3716(4)32h61324H5H214H3b2212+
MFCD01794205
ZINC000059844752
ZINC000059844755
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