Vitas-M small molecule compound

propan-2-yl (2Z)-2-[4-(benzyloxy)-3-methoxybenzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK798402
SMILES COc1cc(ccc1OCc1ccccc1)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C

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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 C33H32N2O6S MW 584.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O6S/c1-20(2)41-32(37)29-21(3)34-33-35(30(29)24-12-14-25(38-4)15-13-24)31(36)28(42-33)18-23-11-16-26(27(17-23)39-5)40-19-22-9-7-6-8-10-22/h6-18,20,30H,19H2,1-5H3/b28-18-
InChIKey
UTHPKJQVCCQONZ-VEILYXNESA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C
COc1cc(ccc1OCc1ccccc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C
InChI=1SC33H32N2O6Sc120(2)4132(37)2921(3)343335(30(29)24121425(384)151324)31(36)28(4233)1823111626(27(1723)395)40192297681022h6182030H19H215H3b2818
MFCD02190742
propan2yl(2Z)2(4(benzyloxy)3methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)5(4METHOXYPHENYL)2((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000002665984
ZINC000002665986

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Available files

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