Vitas-M small molecule compound
2-(4-methoxybenzyl)-1-oxo-N-(4H-1,2,4-triazol-3-yl)-1,2-dihydroisoquinoline-4-carboxamide
Catalog ID
STL409136
SMILES COc1ccc(cc1)Cn1cc(C(=O)Nc2nnc[nH]2)c2c(c1=O)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 C20H17N5O3 MW 375.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O3/c1-28-14-8-6-13(7-9-14)10-25-11-17(18(26)23-20-21-12-22-24-20)15-4-2-3-5-16(15)19(25)27/h2-9,11-12H,10H2,1H3,(H2,21,22,23,24,26)InChIKey
FYHGGNXNFDDFJC-UHFFFAOYSA-NSynonyms
1574400-35-31574400353
2((4methoxyphenyl)methyl)1oxoN(1H124triazol5yl)isoquinoline4carboxamide
2(4methoxybenzyl)1oxoN(1H124triazol3yl)12dihydroisoquinoline4carboxamide
2(4methoxybenzyl)1oxoN(4H124triazol3yl)12dihydroisoquinoline4carboxamide
COC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=NC=NN4
COc1ccc(cc1)Cn1cc(C(=O)Nc2n(nH)cn2)c2c(c1=O)cccc2
COc1ccc(cc1)Cn1cc(C(=O)Nc2nnc(nH)2)c2c(c1=O)cccc2
InChI=1SC20H17N5O3c128148613(7914)10251117(18(26)23202112222420)15423516(15)19(25)27h291112H10H21H3(H22122232426)
MFCD30705554
ZINC000096223638
ZINC96223638
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