Vitas-M small molecule compound
3-{[({5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STK139565
SMILES COc1ccc(cc1C)CCCc1nnc(n1C)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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-15-12-16(10-11-19(15)31-3)6-4-9-20-25-26-23(27(20)2)32-14-21(28)24-18-8-5-7-17(13-18)22(29)30/h5,7-8,10-13H,4,6,9,14H2,1-3H3,(H,24,28)(H,29,30)InChIKey
WMWQLWCXQBWUFT-UHFFFAOYSA-NSynonyms
3((((5(3(4METHOXY3METHYLPHENYL)PROPYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((5(3(4METHOXY3METHYLPHENYL)PROPYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)O)OC
InChI=1SC23H26N4O4Sc1151216(101119(15)313)64920252623(27(20)2)321421(28)241885717(1318)22(29)30h5781013H46914H213H3(H2428)(H2930)
MFCD04393149
ZINC000000633970
ZINC633970
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