Vitas-M small molecule compound
1-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-N-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL143126
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1ccccc1Cl)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 C20H18ClN5O4 MW 427.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O4/c1-12-19(20(28)23-15-5-3-2-4-14(15)21)24-25-26(12)10-18(27)22-9-13-6-7-16-17(8-13)30-11-29-16/h2-8H,9-11H2,1H3,(H,22,27)(H,23,28)InChIKey
GETZWFPRNHOKQF-UHFFFAOYSA-NSynonyms
1(2((13benzodioxol5ylmethyl)amino)2oxoethyl)N(2chlorophenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylmethylamino)2oxoethyl)N(2chlorophenyl)5methyltriazole4carboxamide
CC1=C(N=NN1CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4Cl
InChI=1SC20H18ClN5O4c11219(20(28)2315532414(15)21)242526(12)1018(27)22913671617(813)30112916h28H911H21H3(H2227)(H2328)
MFCD20748173
ZINC000071327467
ZINC71327467
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