Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2-ethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129747
SMILES CCc1ccccc1NC(=O)c1nnn(c1C)CC(=O)Nc1ccc2c(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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-3-14-6-4-5-7-16(14)23-21(28)20-13(2)26(25-24-20)11-19(27)22-15-8-9-17-18(10-15)30-12-29-17/h4-10H,3,11-12H2,1-2H3,(H,22,27)(H,23,28)InChIKey
AKKIYADZGVCCKU-UHFFFAOYSA-NSynonyms
1(2(13benzodioxol5ylamino)2oxoethyl)N(2ethylphenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylamino)2oxoethyl)N(2ethylphenyl)5methyltriazole4carboxamide
CCC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)C
InChI=1SC21H21N5O4c1314645716(14)2321(28)2013(2)26(252420)1119(27)2215891718(1015)30122917h410H31112H212H3(H2227)(H2328)
MFCD20747822
ZINC000067322826
ZINC67322826
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