Vitas-M small molecule compound
ethyl (2Z)-5-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164284
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1ccc3c(c1)OCCO3)/s2)c1ccccc1
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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 C30H23ClN2O5S MW 559.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN2O5S/c1-2-36-29(35)25-26(19-6-4-3-5-7-19)32-30-33(27(25)20-9-11-21(31)12-10-20)28(34)24(39-30)17-18-8-13-22-23(16-18)38-15-14-37-22/h3-13,16-17,27H,2,14-15H2,1H3/b24-17-InChIKey
QREHPBPMPRKTBW-ULJHMMPZSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc3c(c1)OCCO3)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC5=C(C=C4)OCCO5)S2)C6=CC=CC=C6
ethyl(2Z)5(4chlorophenyl)2(23dihydro14benzodioxin6ylmethylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4CHLOROPHENYL)2(23DIHYDRO14BENZODIOXIN6YLMETHYLIDENE)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H23ClN2O5Sc123629(35)2526(196435719)323033(27(25)2091121(31)121020)28(34)24(3930)17188132223(1618)3815143722h313161727H21415H21H3b2417
MFCD03013870
ZINC000002783331
ZINC000002783333
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