Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129758
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1cccc(c1C)C)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/c1-12-5-4-6-16(13(12)2)23-21(28)20-14(3)26(25-24-20)10-19(27)22-15-7-8-17-18(9-15)30-11-29-17/h4-9H,10-11H2,1-3H3,(H,22,27)(H,23,28)InChIKey
WKIQWLKLJCFHNS-UHFFFAOYSA-NSynonyms
1(2(13benzodioxol5ylamino)2oxoethyl)N(23dimethylphenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylamino)2oxoethyl)N(23dimethylphenyl)5methyltriazole4carboxamide
CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)C)C
InChI=1SC21H21N5O4c11254616(13(12)2)2321(28)2014(3)26(252420)1019(27)2215781718(915)30112917h49H1011H213H3(H2227)(H2328)
MFCD20747833
ZINC000067322861
ZINC67322861
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