Vitas-M small molecule compound
methyl 2-{[8-(4-chlorophenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}butanoate
Catalog ID
STK637080
SMILES CCC(C(=O)OC)Sc1nc2n(ncc2c2=NCCCn12)c1ccc(cc1)Cl
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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/c1-3-15(18(26)27-2)28-19-23-17-14(16-21-9-4-10-24(16)19)11-22-25(17)13-7-5-12(20)6-8-13/h5-8,11,15H,3-4,9-10H2,1-2H3InChIKey
LVIKXKZJTJMRDC-UHFFFAOYSA-NSynonyms
1010879-11-41010879114
CCC(C(=O)OC)SC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C4=NCCCN41
InChI=1SC19H20ClN5O2Sc1315(18(26)272)2819231714(1621941024(16)19)112225(17)137512(20)6813h581115H34910H212H3
methyl2((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)butanoate
methyl2((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)butanoate
MFCD12199070
ZINC000012321175
ZINC000012321176
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