Vitas-M small molecule compound
2-[({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL365101
SMILES CCn1c(SCC(=O)Nc2ccccc2C(=O)O)nnc1c1cc2c(o1)cccc2
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-2-25-19(17-11-13-7-3-6-10-16(13)29-17)23-24-21(25)30-12-18(26)22-15-9-5-4-8-14(15)20(27)28/h3-11H,2,12H2,1H3,(H,22,26)(H,27,28)InChIKey
MLMJKIUDDLRJCV-UHFFFAOYSA-NSynonyms
2((((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
2((2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)O)C3=CC4=CC=CC=C4O3
InChI=1SC21H18N4O4Sc122519(1711137361016(13)2917)232421(25)301218(26)2215954814(15)20(27)28h311H212H21H3(H2226)(H2728)
MFCD09217107
ZINC000010681833
ZINC10681833
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