Vitas-M small molecule compound
3-[({[5-(4-methoxyphenyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182145
SMILES COc1ccc(cc1)c1nnc(n1CC(C)C)SCC(=O)Nc1cccc(c1)C(=O)O
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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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-14(2)12-26-20(15-7-9-18(30-3)10-8-15)24-25-22(26)31-13-19(27)23-17-6-4-5-16(11-17)21(28)29/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,28,29)InChIKey
VTGJQPGFKUPRSL-UHFFFAOYSA-NSynonyms
3((((5(4methoxyphenyl)4(2methylpropyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(4methoxyphenyl)4(2methylpropyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)OC
InChI=1SC22H24N4O4Sc114(2)122620(157918(303)10815)242522(26)311319(27)231764516(1117)21(28)29h41114H1213H213H3(H2327)(H2829)
MFCD22125451
ZINC000013353421
ZINC13353421
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