Vitas-M small molecule compound

methyl 4-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}carbamoyl)benzoate

Catalog ID
STK766758
SMILES COC(=O)c1ccc(cc1)C(=O)NCCc1c(C)[nH]c2c1cc(cc2)OC(F)(F)F

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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 C21H19F3N2O4 MW 420.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N2O4/c1-12-16(17-11-15(30-21(22,23)24)7-8-18(17)26-12)9-10-25-19(27)13-3-5-14(6-4-13)20(28)29-2/h3-8,11,26H,9-10H2,1-2H3,(H,25,27)
InChIKey
KPBMRVUSFQZPJF-UHFFFAOYSA-N
Synonyms

CC1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)CCNC(=O)C3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C(=O)NCCc1c(C)(nH)c2c1cc(cc2)OC(F)(F)F
InChI=1SC21H19F3N2O4c11216(171115(3021(2223)24)7818(17)2612)9102519(27)133514(6413)20(28)292h381126H910H212H3(H2527)
methyl4((2(2methyl5(trifluoromethoxy)1Hindol3yl)ethyl)carbamoyl)benzoate
METHYL4(2(2METHYL5(TRIFLUOROMETHOXY)1HINDOL3YL)ETHYLCARBAMOYL)BENZOATE
METHYL4(N(2(2METHYL5(TRIFLUOROMETHOXY)INDOL3YL)ETHYL)CARBAMOYL)BENZOATE
MFCD03036264
ZINC000000718491
ZINC00718491
ZINC718491

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.