Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129739
SMILES Cc1ccc(c(c1)C)NC(=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/c1-12-4-6-16(13(2)8-12)23-21(28)20-14(3)26(25-24-20)10-19(27)22-15-5-7-17-18(9-15)30-11-29-17/h4-9H,10-11H2,1-3H3,(H,22,27)(H,23,28)InChIKey
VDFFUTHROBONBM-UHFFFAOYSA-NSynonyms
1(2(13benzodioxol5ylamino)2oxoethyl)N(24dimethylphenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylamino)2oxoethyl)N(24dimethylphenyl)5methyltriazole4carboxamide
CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)C)C
InChI=1SC21H21N5O4c1124616(13(2)812)2321(28)2014(3)26(252420)1019(27)2215571718(915)30112917h49H1011H213H3(H2227)(H2328)
MFCD20747814
ZINC000067322801
ZINC67322801
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