Vitas-M small molecule compound
4-[({[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK245474
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1C)c1cc2c(o1)ccc(c2)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 C20H15ClN4O4S MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O4S/c1-25-18(16-9-12-8-13(21)4-7-15(12)29-16)23-24-20(25)30-10-17(26)22-14-5-2-11(3-6-14)19(27)28/h2-9H,10H2,1H3,(H,22,26)(H,27,28)InChIKey
SMHYWHWJYPWLAN-UHFFFAOYSA-NSynonyms
4((((5(5CHLORO1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((5(5CHLORO1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4(2(5(5CHLOROBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACID
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)Cl
InChI=1SC20H15ClN4O4Sc12518(16912813(21)4715(12)2916)232420(25)301017(26)22145211(3614)19(27)28h29H10H21H3(H2226)(H2728)
MFCD08670020
ZINC000009306093
ZINC9306093
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