Vitas-M small molecule compound

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

Catalog ID
STL181370
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1ccc(o1)N1CCOCC1)/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 C27H30N4O5S MW 522.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5S/c1-5-35-26(33)23-17(2)28-27-31(24(23)18-6-8-19(9-7-18)29(3)4)25(32)21(37-27)16-20-10-11-22(36-20)30-12-14-34-15-13-30/h6-11,16,24H,5,12-15H2,1-4H3/b21-16-
InChIKey
PQWVYJXYDCEGSI-PGMHBOJBSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc(o1)N1CCOCC1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC=C(O4)N5CCOCC5)S2)C
ethyl(2Z)5(4(dimethylamino)phenyl)7methyl2((5(morpholin4yl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(4(dimethylamino)phenyl)7methyl2((5morpholin4ylfuran2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4DIMETHYLAMINOPHENYL)7METHYL2((5MORPHOLIN4YLFURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H30N4O5Sc153526(33)2317(2)282731(24(23)186819(9718)29(3)4)25(32)21(3727)1620101122(3620)30121434151330h6111624H51215H214H3b2116
MFCD02374230
ZINC000000680808
ZINC000000680810

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.