Vitas-M small molecule compound
{[5-(2-hydroxy-1-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL182668
SMILES OCC(c1nnc(n1CC=C)SCC(=O)O)NC(=O)c1ccc(cc1)OC
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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 C17H20N4O5S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O5S/c1-3-8-21-15(19-20-17(21)27-10-14(23)24)13(9-22)18-16(25)11-4-6-12(26-2)7-5-11/h3-7,13,22H,1,8-10H2,2H3,(H,18,25)(H,23,24)InChIKey
DRPDEGBRUQLISV-UHFFFAOYSA-NSynonyms
((5(2hydroxy1(((4methoxyphenyl)carbonyl)amino)ethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)aceticacid
2((5(2hydroxy1((4methoxybenzoyl)amino)ethyl)4prop2enyl124triazol3yl)sulfanyl)aceticacid
COC1=CC=C(C=C1)C(=O)NC(CO)C2=NN=C(N2CC=C)SCC(=O)O
InChI=1SC17H20N4O5Sc1382115(192017(21)271014(23)24)13(922)1816(25)114612(262)7511h371322H1810H22H3(H1825)(H2324)
MFCD22385644
ZINC000072328130
ZINC000072328131
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