Vitas-M small molecule compound
prop-2-en-1-yl 5-(4-fluorophenyl)-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980952
SMILES CCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)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 C21H22FN3O3S MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O3S/c1-4-10-28-20(27)15-12(3)23-18-17(16(15)13-6-8-14(22)9-7-13)19(26)25-21(24-18)29-11-5-2/h4,6-9,16H,1,5,10-11H2,2-3H3,(H2,23,24,25,26)InChIKey
BUUKSFSDYNCLQG-UHFFFAOYSA-NSynonyms
878625-03-7878625037
CCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)F)C(=O)OCC=C)C
CCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)F)C(=O)OCC=C)C
InChI=1SC21H22FN3O3Sc14102820(27)1512(3)231817(16(15)136814(22)9713)19(26)2521(2418)291152h46916H151011H223H3(H223242526)
MFCD08262251
prop2en1yl5(4fluorophenyl)7methyl4oxo2(propylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl5(4fluorophenyl)7methyl4oxo2propylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000008346014
ZINC000008346015
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