Vitas-M small molecule compound
prop-2-en-1-yl 2-(butylsulfanyl)-5-(3-fluorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980955
SMILES CCCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1cccc(c1)F)C(=O)OCC=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 C22H24FN3O3S MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FN3O3S/c1-4-6-11-30-22-25-19-18(20(27)26-22)17(14-8-7-9-15(23)12-14)16(13(3)24-19)21(28)29-10-5-2/h5,7-9,12,17H,2,4,6,10-11H2,1,3H3,(H2,24,25,26,27)InChIKey
IFNALJUZBPOANW-UHFFFAOYSA-NSynonyms
924129-65-7924129657
CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC(=CC=C3)F)C(=O)OCC=C)C
CCCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1cccc(c1)F)C(=O)OCC=C)C
InChI=1SC22H24FN3O3Sc146113022251918(20(27)2622)17(1487915(23)1214)16(13(3)2419)21(28)291052h5791217H2461011H213H3(H224252627)
MFCD08488651
prop2en1yl2(butylsulfanyl)5(3fluorophenyl)7methyl4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl2butylsulfanyl5(3fluorophenyl)7methyl4oxo58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000100951267
ZINC000100951269
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