Vitas-M small molecule compound
prop-2-en-1-yl 7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981002
SMILES C=CCOC(=O)C1=C(C)Nc2c(C1c1ccncc1)c(=O)[nH]c(n2)SCC=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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-4-10-27-19(26)14-12(3)22-17-16(15(14)13-6-8-21-9-7-13)18(25)24-20(23-17)28-11-5-2/h4-9,15H,1-2,10-11H2,3H3,(H2,22,23,24,25)InChIKey
CSBJOLRNCIZLBR-UHFFFAOYSA-NSynonyms
892259-36-8892259368
C=CCOC(=O)C1=C(C)Nc2c(C1c1ccncc1)c(=O)(nH)c(n2)SCC=C
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC=C)C3=CC=NC=C3)C(=O)OCC=C
InChI=1SC20H20N4O3Sc14102719(26)1412(3)221716(15(14)1368219713)18(25)2420(2317)281152h4915H121011H23H3(H222232425)
MFCD07803256
prop2en1yl7methyl4oxo2(prop2en1ylsulfanyl)5(pyridin4yl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl7methyl4oxo2prop2enylsulfanyl5pyridin4yl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000100951324
ZINC000100951328
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