Vitas-M small molecule compound
methyl 4-[({[4-methyl-5-(4-{[(2-methylphenyl)carbonyl]amino}phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL357640
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1C
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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 C27H25N5O4S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4S/c1-17-6-4-5-7-22(17)25(34)29-21-12-8-18(9-13-21)24-30-31-27(32(24)2)37-16-23(33)28-20-14-10-19(11-15-20)26(35)36-3/h4-15H,16H2,1-3H3,(H,28,33)(H,29,34)InChIKey
VQKKUXFWSJPTJU-UHFFFAOYSA-NSynonyms
443668-61-9443668619
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC27H25N5O4Sc117645722(17)25(34)292112818(91321)24303127(32(24)2)371623(33)2820141019(111520)26(35)363h415H16H213H3(H2833)(H2934)
methyl4((((4methyl5(4(((2methylphenyl)carbonyl)amino)phenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4METHYL5(4((2METHYLBENZOYL)AMINO)PHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4methyl5(4(2methylbenzamido)phenyl)4H124triazol3yl)thio)acetamido)benzoate
MFCD02953955
ZINC000000669541
ZINC00669541
ZINC669541
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