Vitas-M small molecule compound
methyl 3-({[({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}methyl)benzoate
Catalog ID
STK231814
SMILES COC(=O)c1cccc(c1)CNC(=O)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
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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 C32H34N4O4S MW 570.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O4S/c1-39-31(38)26-12-8-9-23(19-26)20-33-30(37)22-41-32-35-34-29(36(32)27-13-6-3-7-14-27)21-40-28-17-15-25(16-18-28)24-10-4-2-5-11-24/h3,6-9,12-19,24H,2,4-5,10-11,20-22H2,1H3,(H,33,37)InChIKey
NVJUOMWFXKTBSS-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
InChI=1SC32H34N4O4Sc13931(38)26128923(1926)203330(37)224132353429(36(32)27136371427)214028171525(161828)24104251124h369121924H24510112022H21H3(H3337)
methyl3(((((5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)methyl)benzoate
METHYL3(((2((5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)METHYL)BENZOATE
MFCD05855396
ZINC000097996933
ZINC97996933
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