Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-methyl-1-oxo-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK939388
SMILES COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)Nc1ccc(cc1)Cn1ncnc1)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 C27H25N5O3 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3/c1-31-25(19-9-13-21(35-2)14-10-19)24(22-5-3-4-6-23(22)27(31)34)26(33)30-20-11-7-18(8-12-20)15-32-17-28-16-29-32/h3-14,16-17,24-25H,15H2,1-2H3,(H,30,33)InChIKey
CREXYQHQGLNEEU-UHFFFAOYSA-NSynonyms
1219556-42-91219556429
3(4methoxyphenyl)2methyl1oxoN(4(124triazol1ylmethyl)phenyl)34dihydroisoquinoline4carboxamide
3(4methoxyphenyl)2methyl1oxoN(4(1H124triazol1ylmethyl)phenyl)1234tetrahydroisoquinoline4carboxamide
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4)C5=CC=C(C=C5)OC
InChI=1SC27H25N5O3c13125(1991321(352)141019)24(22534623(22)27(31)34)26(33)302011718(81220)15321728162932h31416172425H15H212H3(H3033)
MFCD16623047
N(4((1H124triazol1yl)methyl)phenyl)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
ZINC000040266385
ZINC000040266388
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