Vitas-M small molecule compound

ethyl 4-(1,3-benzodioxol-5-yl)-6-{[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK777386
SMILES CCOC(=O)C1=C(CSc2nc(C)cc3c2C(=O)OC3)NC(=O)NC1c1ccc2c(c1)OCO2

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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 C23H21N3O7S MW 483.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7S/c1-3-30-22(28)18-14(9-34-20-17-13(6-11(2)24-20)8-31-21(17)27)25-23(29)26-19(18)12-4-5-15-16(7-12)33-10-32-15/h4-7,19H,3,8-10H2,1-2H3,(H2,25,26,29)
InChIKey
QYTUHELDGVSFSZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=C5C(=CC(=N4)C)COC5=O
ethyl4(13benzodioxol5yl)6(((6methyl3oxo13dihydrofuro(34c)pyridin4yl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6((6METHYL3OXO1HFURO(34C)PYRIDIN4YL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC23H21N3O7Sc133022(28)1814(934201713(611(2)2420)83121(17)27)2523(29)2619(18)12451516(712)33103215h4719H3810H212H3(H2252629)
MFCD05260442
ZINC000012412602
ZINC000012412604

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Available files

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