Vitas-M small molecule compound
methyl 4-[({[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL228814
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1ccco1
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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 C21H18N4O5S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S/c1-28-20(27)14-6-8-15(9-7-14)22-18(26)13-31-21-24-23-19(17-5-3-11-30-17)25(21)12-16-4-2-10-29-16/h2-11H,12-13H2,1H3,(H,22,26)InChIKey
KQLRHFCPRHQTHO-UHFFFAOYSA-NSynonyms
579440-86-1579440861
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4
InChI=1SC21H18N4O5Sc12820(27)146815(9714)2218(26)133121242319(1753113017)25(21)121642102916h211H1213H21H3(H2226)
methyl4((((5(furan2yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(FURAN2YL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5(FURAN2YL)4(FURAN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((5(furan2yl)4(furan2ylmethyl)4H124triazol3yl)thio)acetamido)benzoate
MFCD04032548
ZINC000002395973
ZINC02395973
ZINC2395973
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