Vitas-M small molecule compound
methyl 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-1H-pyrazole-4-carboxylate
Catalog ID
STL073068
SMILES COC(=O)c1c[nH]nc1S(=O)(=O)N1CCc2c(C1)cccc2
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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 C14H15N3O4S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O4S/c1-21-14(18)12-8-15-16-13(12)22(19,20)17-7-6-10-4-2-3-5-11(10)9-17/h2-5,8H,6-7,9H2,1H3,(H,15,16)InChIKey
WJBQHBXZLDRLBH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(NN=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2
COC(=O)c1c(nH)nc1S(=O)(=O)N1CCc2c(C1)cccc2
InChI=1SC14H15N3O4Sc12114(18)128151613(12)22(1920)177610423511(10)917h258H679H21H3(H1516)
methyl3(34dihydroisoquinolin2(1H)ylsulfonyl)1Hpyrazole4carboxylate
methyl5(34dihydro1Hisoquinolin2ylsulfonyl)1Hpyrazole4carboxylate
MFCD18194703
ZINC000057478142
ZINC57478142
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