Vitas-M small molecule compound
3-[({[5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182031
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1C(C(C)C)NC(=O)c1ccccc1
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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 C25H27N5O4S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4S/c1-4-13-30-22(21(16(2)3)27-23(32)17-9-6-5-7-10-17)28-29-25(30)35-15-20(31)26-19-12-8-11-18(14-19)24(33)34/h4-12,14,16,21H,1,13,15H2,2-3H3,(H,26,31)(H,27,32)(H,33,34)InChIKey
GXMWKYQICCAQSN-UHFFFAOYSA-NSynonyms
1381850-06-11381850061
3((((5(2methyl1((phenylcarbonyl)amino)propyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(1benzamido2methylpropyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC(C)C(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3
InChI=1SC25H27N5O4Sc14133022(21(16(2)3)2723(32)1796571017)282925(30)351520(31)26191281118(1419)24(33)34h412141621H11315H223H3(H2631)(H2732)(H3334)
MFCD04385827
ZINC000072191534
ZINC000072191535
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