Vitas-M small molecule compound

ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL164281
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(o1)N1CCOCC1)/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 C31H27N3O7S MW 585.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O7S/c1-2-38-30(36)26-27(19-6-4-3-5-7-19)32-31-34(28(26)20-8-10-22-23(16-20)40-18-39-22)29(35)24(42-31)17-21-9-11-25(41-21)33-12-14-37-15-13-33/h3-11,16-17,28H,2,12-15,18H2,1H3/b24-17-
InChIKey
AYXZZSKDDFAGGJ-ULJHMMPZSA-N
Synonyms

CCOC(=O)C1=C(N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(o1)N1CCOCC1)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(O5)N6CCOCC6)S2)C7=CC=CC=C7
ethyl(2Z)5(13benzodioxol5yl)2((5(morpholin4yl)furan2yl)methylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)2((5MORPHOLIN4YLFURAN2YL)METHYLIDENE)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(13BENZODIOXOL5YL)2((5(4MORPHOLINYL)2FURYL)METHYLENE)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H27N3O7Sc123830(36)2627(196435719)323134(28(26)208102223(1620)40183922)29(35)24(4231)172191125(4121)33121437151333h311161728H2121518H21H3b2417
MFCD03082244
ZINC000004489258
ZINC000008437873

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Available files

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