Vitas-M small molecule compound
methyl 4-[({[4-(prop-2-en-1-yl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK328665
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1C12CC3CC(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 C25H30N4O3S MW 466.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3S/c1-3-8-29-23(25-12-16-9-17(13-25)11-18(10-16)14-25)27-28-24(29)33-15-21(30)26-20-6-4-19(5-7-20)22(31)32-2/h3-7,16-18H,1,8-15H2,2H3,(H,26,30)InChIKey
GEDJRPXHZGWYMD-UHFFFAOYSA-NSynonyms
889948-21-4889948214
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C34CC5CC(C3)CC(C5)C4
InChI=1SC25H30N4O3Sc1382923(251216917(1325)1118(1016)1425)272824(29)331521(30)26206419(5720)22(31)322h371618H1815H22H3(H2630)
methyl4((((4(prop2en1yl)5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(1ADAMANTYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06617284
ZINC000014945346
ZINC14945346
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