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Vitas-M small molecule compound

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

Catalog ID
STK100958
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(c(c1)OCC)OCC)c(=O)/c(=C/c1ccc(o1)c1cc(ccc1OC)[N+](=O)[O-])/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 C37H33N3O9S MW 695.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H33N3O9S/c1-5-46-29-16-13-23(19-30(29)47-6-2)34-32(36(42)48-7-3)33(22-11-9-8-10-12-22)38-37-39(34)35(41)31(50-37)21-25-15-18-28(49-25)26-20-24(40(43)44)14-17-27(26)45-4/h8-21,34H,5-7H2,1-4H3/b31-21-
InChIKey
JTRFRJSSTALKDH-YQYKVWLJSA-N
Synonyms

CCOC(=O)C1=C(N=c2n(C1c1ccc(c(c1)OCC)OCC)c(=O)c(=Cc1ccc(o1)c1cc(ccc1OC)(N+)(=O)(O))s2)c1ccccc1
CCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(O4)C5=C(C=CC(=C5)(N+)(=O)(O))OC)S3)C6=CC=CC=C6)C(=O)OCC)OCC
ETHYL(2Z)5(34DIETHOXYPHENYL)2((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(34DIETHOXYPHENYL)2((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC37H33N3O9Sc154629161323(1930(29)4762)3432(36(42)4873)33(221198101222)383739(34)35(41)31(5037)2125151828(4925)262024(40(43)44)141727(26)454h82134H57H214H3b3121
MFCD04127047
ZINC000150447017
ZINC000150447023

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Available files

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