Vitas-M small molecule compound
3-(4-chlorophenyl)-2-ethyl-7-(4H-1,2,4-triazol-3-yl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
Catalog ID
STK695823
SMILES CCc1nn2c(c1c1ccc(cc1)Cl)nnc1c2ccn(c1=O)c1nnc[nH]1
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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 C18H13ClN8O MW 392.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN8O/c1-2-12-14(10-3-5-11(19)6-4-10)16-23-22-15-13(27(16)25-12)7-8-26(17(15)28)18-20-9-21-24-18/h3-9H,2H2,1H3,(H,20,21,24)InChIKey
RWKWBFDCHXXJIK-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)2ethyl7(4H124triazol3yl)pyrazolo(51c)pyrido(43e)(124)triazin6(7H)one
CCC1=NN2C3=C(C(=O)N(C=C3)C4=NC=NN4)N=NC2=C1C5=CC=C(C=C5)Cl
CCc1nn2c(c1c1ccc(cc1)Cl)nnc1c2ccn(c1=O)c1nnc(nH)1
InChI=1SC18H13ClN8Oc121214(103511(19)6410)1623221513(27(16)2512)7826(17(15)28)18209212418h39H2H21H3(H202124)
MFCD11083389
ZINC000019821596
ZINC19821596
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