Vitas-M small molecule compound
methyl 4-[({[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK118837
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)C(Oc1ccccc1)C
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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-14(29-17-7-5-4-6-8-17)19-23-24-21(25(19)2)30-13-18(26)22-16-11-9-15(10-12-16)20(27)28-3/h4-12,14H,13H2,1-3H3,(H,22,26)InChIKey
MUJLYAXEMDJSRL-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)OC3=CC=CC=C3
InChI=1SC21H22N4O4Sc114(29177546817)19232421(25(19)2)301318(26)221611915(101216)20(27)283h41214H13H213H3(H2226)
METHYL4((((4METHYL5(1PHENOXYETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4METHYL5(1PHENOXYETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04091039
ZINC000000687592
ZINC000000687593
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