Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-N-(4H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STL313221
SMILES COc1cc(ccc1OC)C1C(C(=O)Nc2nnc[nH]2)c2ccccc2C(=O)N1C
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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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-26-18(12-8-9-15(29-2)16(10-12)30-3)17(19(27)24-21-22-11-23-25-21)13-6-4-5-7-14(13)20(26)28/h4-11,17-18H,1-3H3,(H2,22,23,24,25,27)InChIKey
ZYCXYVKTOFMMFW-UHFFFAOYSA-NSynonyms
1574409-32-71574409327
3(34dimethoxyphenyl)2methyl1oxoN(1H124triazol3yl)1234tetrahydroisoquinoline4carboxamide
3(34dimethoxyphenyl)2methyl1oxoN(1H124triazol5yl)34dihydroisoquinoline4carboxamide
3(34dimethoxyphenyl)2methyl1oxoN(4H124triazol3yl)1234tetrahydroisoquinoline4carboxamide
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC=NN3)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C1C(C(=O)Nc2n(nH)cn2)c2ccccc2C(=O)N1C
COc1cc(ccc1OC)C1C(C(=O)Nc2nnc(nH)2)c2ccccc2C(=O)N1C
InChI=1SC21H21N5O4c12618(128915(292)16(1012)303)17(19(27)24212211232521)13645714(13)20(26)28h4111718H13H3(H22223242527)
MFCD28029978
ZINC000095475357
ZINC000095475360
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