Vitas-M small molecule compound
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL094603
SMILES CCOc1ccc(cc1)NC(=O)Cn1nnc(c1N)C(=O)NCc1ccc2c(c1)OCO2
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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 C21H22N6O5 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O5/c1-2-30-15-6-4-14(5-7-15)24-18(28)11-27-20(22)19(25-26-27)21(29)23-10-13-3-8-16-17(9-13)32-12-31-16/h3-9H,2,10-12,22H2,1H3,(H,23,29)(H,24,28)InChIKey
ODOVYERIUQZOFP-UHFFFAOYSA-NSynonyms
5aminoN(13benzodioxol5ylmethyl)1(2((4ethoxyphenyl)amino)2oxoethyl)1H123triazole4carboxamide
5aminoN(13benzodioxol5ylmethyl)1(2(4ethoxyanilino)2oxoethyl)triazole4carboxamide
CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N
InChI=1SC21H22N6O5c1230156414(5715)2418(28)112720(22)19(252627)21(29)231013381617(913)32123116h39H2101222H21H3(H2329)(H2428)
MFCD14753628
ZINC000009677886
ZINC9677886
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