Vitas-M small molecule compound
methyl {[8-(3-chloro-4-methylphenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}acetate
Catalog ID
STK634573
SMILES COC(=O)CSc1nc2n(ncc2c2=NCCCn12)c1ccc(c(c1)Cl)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 C18H18ClN5O2S MW 403.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN5O2S/c1-11-4-5-12(8-14(11)19)24-17-13(9-21-24)16-20-6-3-7-23(16)18(22-17)27-10-15(25)26-2/h4-5,8-9H,3,6-7,10H2,1-2H3InChIKey
QAZHYWVQRUAJLS-UHFFFAOYSA-NSynonyms
1010901-09-31010901093
CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NCCCN4C(=N3)SCC(=O)OC)Cl
InChI=1SC18H18ClN5O2Sc1114512(814(11)19)241713(92124)162063723(16)18(2217)271015(25)262h4589H36710H212H3
methyl((8(3chloro4methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)acetate
methyl2((8(3chloro4methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)acetate
MFCD12202659
ZINC000012391201
ZINC12391201
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