Vitas-M small molecule compound
3-({[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK251259
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)CC(=O)Nc1ccccc1F
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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 C20H18FN5O4S MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O4S/c1-26-16(10-17(27)23-15-8-3-2-7-14(15)21)24-25-20(26)31-11-18(28)22-13-6-4-5-12(9-13)19(29)30/h2-9H,10-11H2,1H3,(H,22,28)(H,23,27)(H,29,30)InChIKey
UBRCVIHVKGTPEY-UHFFFAOYSA-NSynonyms
3((((5(2((2FLUOROPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((5(2(2fluoroanilino)2oxoethyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3(2(5((2FLUOROPHENYLCARBAMOYL)METHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACID
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CC(=O)NC3=CC=CC=C3F
InChI=1SC20H18FN5O4Sc12616(1017(27)2315832714(15)21)242520(26)311118(28)221364512(913)19(29)30h29H1011H21H3(H2228)(H2327)(H2930)
MFCD08670323
ZINC000009699010
ZINC9699010
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