Vitas-M small molecule compound
ethyl (2Z)-2-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674777
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc(c(c1)OC)OCc1ccccc1Cl)/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 C29H25ClN2O5S2 MW 581.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN2O5S2/c1-4-36-28(34)25-17(2)31-29-32(26(25)23-10-7-13-38-23)27(33)24(39-29)15-18-11-12-21(22(14-18)35-3)37-16-19-8-5-6-9-20(19)30/h5-15,26H,4,16H2,1-3H3/b24-15-InChIKey
IAWTUDIYSSHZKT-IWIPYMOSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(c(c1)OC)OCc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5Cl)OC)S2)C
ETHYL(2Z)2((4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4((2chlorobenzyl)oxy)3methoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(4((2CHLOROBENZYL)OXY)3METHOXYBENZYLIDENE)7METHYL3OXO5(2THIENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H25ClN2O5S2c143628(34)2517(2)312932(26(25)23107133823)27(33)24(3929)1518111221(22(1418)353)371619856920(19)30h51526H416H213H3b2415
MFCD01460634
ZINC000003667332
ZINC000003667334
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