Vitas-M small molecule compound

ethyl 5-methoxy-1,2-dimethyl-4-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)amino]-1H-indole-3-carboxylate

Catalog ID
STL349446
SMILES CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)c(OC)cc2)C

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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 C27H31F3N4O4 MW 532.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31F3N4O4/c1-5-38-26(36)23-17(2)32(3)20-9-10-21(37-4)25(24(20)23)31-22(35)16-33-11-13-34(14-12-33)19-8-6-7-18(15-19)27(28,29)30/h6-10,15H,5,11-14,16H2,1-4H3,(H,31,35)
InChIKey
PWODIPFFGPVPMJ-UHFFFAOYSA-N
Synonyms
877623-36-4
877623364
CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C)C
ethyl5methoxy12dimethyl4(((4(3(trifluoromethyl)phenyl)piperazin1yl)acetyl)amino)1Hindole3carboxylate
ETHYL5METHOXY12DIMETHYL4((2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)ACETYL)AMINO)INDOLE3CARBOXYLATE
ethyl5methoxy12dimethyl4(2(4(3(trifluoromethyl)phenyl)piperazin1yl)acetamido)1Hindole3carboxylate
InChI=1SC27H31F3N4O4c153826(36)2317(2)32(3)2091021(374)25(24(20)23)3122(35)1633111334(141233)1986718(1519)27(2829)30h61015H5111416H214H3(H3135)
MFCD05706610
ZINC000097955814
ZINC97955814

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Available files

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