Vitas-M small molecule compound

ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate

Catalog ID
STK528251
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)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 C25H27FN4O5 MW 482.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O5/c1-2-33-25(32)24-23(18-12-17(26)4-5-19(18)27-24)28-22(31)14-30-9-7-29(8-10-30)13-16-3-6-20-21(11-16)35-15-34-20/h3-6,11-12,27H,2,7-10,13-15H2,1H3,(H,28,31)
InChIKey
SDBGSJAFIXLGRF-UHFFFAOYSA-N
Synonyms

CCOC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)F
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
ethyl3(((4(13benzodioxol5ylmethyl)piperazin1yl)acetyl)amino)5fluoro1Hindole2carboxylate
ETHYL3((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)ACETYL)AMINO)5FLUORO1HINDOLE2CARBOXYLATE
ethyl3(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)acetamido)5fluoro1Hindole2carboxylate
InChI=1SC25H27FN4O5c123325(32)2423(181217(26)4519(18)2724)2822(31)14309729(81030)1316362021(1116)35153420h36111227H27101315H21H3(H2831)
MFCD02236371
ZINC000022938923
ZINC22938923

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Available files

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