Vitas-M small molecule compound
methyl 2-(benzylsulfanyl)-5-(3-hydroxyphenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980902
SMILES COC(=O)C1=C(C)Nc2c(C1c1cccc(c1)O)c(=O)[nH]c(n2)SCc1ccccc1
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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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-13-17(22(29)30-2)18(15-9-6-10-16(27)11-15)19-20(24-13)25-23(26-21(19)28)31-12-14-7-4-3-5-8-14/h3-11,18,27H,12H2,1-2H3,(H2,24,25,26,28)InChIKey
QKUVNSOPDOVMBI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC(=CC=C4)O)C(=O)OC
COC(=O)C1=C(C)Nc2c(C1c1cccc(c1)O)c(=O)(nH)c(n2)SCc1ccccc1
InChI=1SC23H21N3O4Sc11317(22(29)302)18(15961016(27)1115)1920(2413)2523(2621(19)28)3112147435814h3111827H12H212H3(H224252628)
methyl2(benzylsulfanyl)5(3hydroxyphenyl)7methyl4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
METHYL2BENZYLSULFANYL5(3HYDROXYPHENYL)7METHYL4OXO58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
MFCD05018597
ZINC000044973647
ZINC000044973652
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