Vitas-M small molecule compound
methyl 4-{[({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK737480
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2
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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 C26H22N4O6S MW 518.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O6S/c1-33-25(32)17-7-9-18(10-8-17)27-24(31)15-37-26-29-28-23(30(26)19-5-3-2-4-6-19)14-34-20-11-12-21-22(13-20)36-16-35-21/h2-13H,14-16H2,1H3,(H,27,31)InChIKey
KXPIDGAQTWWTKO-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC5=C(C=C4)OCO5
InChI=1SC26H22N4O6Sc13325(32)177918(10817)2724(31)153726292823(30(26)195324619)14342011122122(1320)36163521h213H1416H21H3(H2731)
methyl4((((5((13benzodioxol5yloxy)methyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(13BENZODIOXOL5YLOXYMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06618726
ZINC000012417832
ZINC12417832
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