Vitas-M small molecule compound
3-[({[4-ethyl-5-(1-{[(2-fluorophenyl)carbonyl]amino}-2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182086
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1C(C(C)C)NC(=O)c1ccccc1F
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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 C24H26FN5O4S MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26FN5O4S/c1-4-30-21(20(14(2)3)27-22(32)17-10-5-6-11-18(17)25)28-29-24(30)35-13-19(31)26-16-9-7-8-15(12-16)23(33)34/h5-12,14,20H,4,13H2,1-3H3,(H,26,31)(H,27,32)(H,33,34)InChIKey
WCERUGGTYBCKPT-UHFFFAOYSA-NSynonyms
3((((4ethyl5(1(((2fluorophenyl)carbonyl)amino)2methylpropyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4ethyl5(1((2fluorobenzoyl)amino)2methylpropyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C(C(C)C)NC(=O)C3=CC=CC=C3F
InChI=1SC24H26FN5O4Sc143021(20(14(2)3)2722(32)1710561118(17)25)282924(30)351319(31)261697815(1216)23(33)34h5121420H413H213H3(H2631)(H2732)(H3334)
MFCD22125463
ZINC000072191538
ZINC000072191539
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