Vitas-M small molecule compound
ethyl (2Z)-5-(4-chlorophenyl)-2-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522588
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1cc(I)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/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 C31H24Cl3IN2O5S MW 769.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24Cl3IN2O5S/c1-4-41-30(39)26-16(2)36-31-37(27(26)18-5-8-20(32)9-6-18)29(38)25(43-31)13-17-11-23(35)28(24(12-17)40-3)42-15-19-7-10-21(33)14-22(19)34/h5-14,27H,4,15H2,1-3H3/b25-13-InChIKey
NXVQVMQMBUWBOD-MXAYSNPKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC(=C(C(=C4)I)OCC5=C(C=C(C=C5)Cl)Cl)OC)S2)C
ETHYL(2Z)5(4CHLOROPHENYL)2((4((24DICHLOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(4chlorophenyl)2(4((24dichlorobenzyl)oxy)3iodo5methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H24Cl3IN2O5Sc144130(39)2616(2)363137(27(26)185820(32)9618)29(38)25(4331)13171123(35)28(24(1217)403)42151971021(33)1422(19)34h51427H415H213H3b2513
MFCD02378690
ZINC000097966284
ZINC000097966285
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.