Vitas-M small molecule compound

methyl 2-[(2-chlorobenzyl)sulfanyl]-5-(4-hydroxyphenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate

Catalog ID
STK980909
SMILES COC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)O)c(=O)[nH]c(n2)SCc1ccccc1Cl

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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 C23H20ClN3O4S MW 469.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O4S/c1-12-17(22(30)31-2)18(13-7-9-15(28)10-8-13)19-20(25-12)26-23(27-21(19)29)32-11-14-5-3-4-6-16(14)24/h3-10,18,28H,11H2,1-2H3,(H2,25,26,27,29)
InChIKey
WMAZFHRAYLDINU-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)O)C(=O)OC
COC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)O)c(=O)(nH)c(n2)SCc1ccccc1Cl
InChI=1SC23H20ClN3O4Sc11217(22(30)312)18(137915(28)10813)1920(2512)2623(2721(19)29)321114534616(14)24h3101828H11H212H3(H225262729)
methyl2((2chlorobenzyl)sulfanyl)5(4hydroxyphenyl)7methyl4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
METHYL2((2CHLOROPHENYL)METHYLSULFANYL)5(4HYDROXYPHENYL)7METHYL4OXO58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
MFCD06277887
ZINC000032655296
ZINC000032655297

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Available files

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