Vitas-M small molecule compound
propan-2-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
STK980997
SMILES C=CCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccncc1)C(=O)OC(C)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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-5-10-28-20-23-17-16(18(25)24-20)15(13-6-8-21-9-7-13)14(12(4)22-17)19(26)27-11(2)3/h5-9,11,15H,1,10H2,2-4H3,(H2,22,23,24,25)InChIKey
JSSYIRAHCHOTMR-UHFFFAOYSA-NSynonyms
C=CCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccncc1)C(=O)OC(C)C)C
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC=C)C3=CC=NC=C3)C(=O)OC(C)C
InChI=1SC20H22N4O3Sc15102820231716(18(25)2420)15(1368219713)14(12(4)2217)19(26)2711(2)3h591115H110H224H3(H222232425)
MFCD07803261
propan2yl7methyl4oxo2(prop2en1ylsulfanyl)5(pyridin4yl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl7methyl4oxo2prop2enylsulfanyl5pyridin4yl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000004292307
ZINC000004292308
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