Vitas-M small molecule compound

methyl 4-({N-(methylsulfonyl)-N-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]glycyl}amino)benzoate

Catalog ID
STL026546
SMILES COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)C)c1ccc(cc1)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 C27H32N2O5S MW 496.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5S/c1-34-26(31)21-3-7-23(8-4-21)28-25(30)17-29(35(2,32)33)24-9-5-22(6-10-24)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H,28,30)
InChIKey
FTHMIDYHTOWEQW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C
InChI=1SC27H32N2O5Sc13426(31)213723(8421)2825(30)1729(35(232)33)249522(61024)2714181119(1527)1320(1218)1627h3101820H1117H212H3(H2830)
METHYL4((2(4(1ADAMANTYL)NMETHYLSULFONYLANILINO)ACETYL)AMINO)BENZOATE
methyl4((N(methylsulfonyl)N(4(tricyclo(3311~37~)dec1yl)phenyl)glycyl)amino)benzoate
MFCD05802910
ZINC000016194204
ZINC16194204

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Available files

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