Vitas-M small molecule compound
methyl 4-[({[4-phenyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK328713
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)C12CC3CC(C2)CC(C1)C3
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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 C28H30N4O3S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S/c1-35-25(34)21-7-9-22(10-8-21)29-24(33)17-36-27-31-30-26(32(27)23-5-3-2-4-6-23)28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H,29,33)InChIKey
NAJCQQODHFZACS-UHFFFAOYSA-NSynonyms
889949-38-6889949386
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI=1SC28H30N4O3Sc13525(34)217922(10821)2924(33)173627313026(32(27)235324623)2814181119(1528)1320(1218)1628h2101820H1117H21H3(H2933)
methyl4((((4phenyl5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(1ADAMANTYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06617322
ZINC000014945399
ZINC14945399
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