Vitas-M small molecule compound
4-(1-carboxyethyl)-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Catalog ID
STL357292
SMILES OC(=O)C([n+]1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl)C
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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 C13H12Cl2N3O3 MW 329.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11Cl2N3O3/c1-8(13(20)21)17-6-16-18(7-17)5-12(19)10-3-2-9(14)4-11(10)15/h2-4,6-8H,5H2,1H3/p+1InChIKey
BYJAGIXHOZUBME-UHFFFAOYSA-OSynonyms
2(1(2(24DICHLOROPHENYL)2OXOETHYL)124TRIAZOL4IUM4YL)PROPANOICACID
4(1carboxyethyl)1(2(24dichlorophenyl)2oxoethyl)1H124triazol4ium
CC(C(=O)O)(N+)1=CN(N=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI=1SC13H11Cl2N3O3c18(13(20)21)1761618(717)512(19)10329(14)411(10)15h2468H5H21H3p+1
MFCD01067801
OC(=O)C((n+)1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl)C
ZINC000001889290
ZINC000001889291
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