Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-{4-[(2,4-dichlorobenzyl)oxy]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522642
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(cc1)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 C31H24Cl2N2O6S MW 623.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24Cl2N2O6S/c1-3-38-30(37)27-17(2)34-31-35(28(27)19-7-11-24-25(13-19)41-16-40-24)29(36)26(42-31)12-18-4-9-22(10-5-18)39-15-20-6-8-21(32)14-23(20)33/h4-14,28H,3,15-16H2,1-2H3/b26-12-InChIKey
MPBGKYWNZZXWCG-ZRGSRPPYSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(cc1)OCc1ccc(cc1Cl)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(C=C5)OCC6=C(C=C(C=C6)Cl)Cl)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((4((24DICHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(4((24dichlorobenzyl)oxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H24Cl2N2O6Sc133830(37)2717(2)343135(28(27)197112425(1319)41164024)29(36)26(4231)12184922(10518)3915206821(32)1423(20)33h41428H31516H212H3b2612
MFCD01061718
ZINC000033353288
ZINC000033353289
Check stock
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Check stock on Vitas-MAvailable files
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