Vitas-M small molecule compound
ethyl (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK675069
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1cc3OCOc3cc1Br)/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 C30H23BrN2O6S MW 619.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN2O6S/c1-3-37-29(35)25-26(17-9-5-4-6-10-17)32-30-33(27(25)19-11-7-8-12-21(19)36-2)28(34)24(40-30)14-18-13-22-23(15-20(18)31)39-16-38-22/h4-15,27H,3,16H2,1-2H3/b24-14+InChIKey
GQQBVFHRWPSIQN-ZVHZXABRSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1cc3OCOc3cc1Br)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC5=C(C=C4Br)OCO5)S2)C6=CC=CC=C6
ethyl(2E)2((6bromo13benzodioxol5yl)methylidene)5(2methoxyphenyl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((6BROMO13BENZODIOXOL5YL)METHYLIDENE)5(2METHOXYPHENYL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H23BrN2O6Sc133729(35)2526(1795461017)323033(27(25)1911781221(19)362)28(34)24(4030)1418132223(1520(18)31)39163822h41527H316H212H3b2414+
MFCD01572519
ZINC000100074913
ZINC000100074914
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