Vitas-M small molecule compound
methyl 2-{[8-(3-chloro-4-methylphenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}propanoate
Catalog ID
STK636991
SMILES COC(=O)C(Sc1nc2n(ncc2c2=NCCCn12)c1ccc(c(c1)Cl)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 C19H20ClN5O2S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN5O2S/c1-11-5-6-13(9-15(11)20)25-17-14(10-22-25)16-21-7-4-8-24(16)19(23-17)28-12(2)18(26)27-3/h5-6,9-10,12H,4,7-8H2,1-3H3InChIKey
RUIZWVATLZBRGM-UHFFFAOYSA-NSynonyms
1010928-43-41010928434
CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NCCCN4C(=N3)SC(C)C(=O)OC)Cl
InChI=1SC19H20ClN5O2Sc1115613(915(11)20)251714(102225)162174824(16)19(2317)2812(2)18(26)273h5691012H478H213H3
methyl2((8(3chloro4methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)propanoate
methyl2((8(3chloro4methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)propanoate
MFCD12201651
ZINC000012390000
ZINC000012390001
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