Vitas-M small molecule compound
methyl 4-[({4-[(3-chloro-2-methylphenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate
Catalog ID
STL129735
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1nnc(c1C)C(=O)Nc1cccc(c1C)Cl
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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 C21H20ClN5O4 MW 441.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4/c1-12-16(22)5-4-6-17(12)24-20(29)19-13(2)27(26-25-19)11-18(28)23-15-9-7-14(8-10-15)21(30)31-3/h4-10H,11H2,1-3H3,(H,23,28)(H,24,29)InChIKey
BTNYWRYXAWZPRD-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)C
InChI=1SC21H20ClN5O4c11216(22)54617(12)2420(29)1913(2)27(262519)1118(28)23159714(81015)21(30)313h410H11H213H3(H2328)(H2429)
methyl4(((4((3chloro2methylphenyl)carbamoyl)5methyl1H123triazol1yl)acetyl)amino)benzoate
methyl4((2(4((3chloro2methylphenyl)carbamoyl)5methyltriazol1yl)acetyl)amino)benzoate
MFCD20747689
ZINC000067322789
ZINC67322789
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