Vitas-M small molecule compound

methyl 3-({[(2R)-2-(2-ethoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate

Catalog ID
STL525314
SMILES CCOC(=O)C[C@H]1N(CCNC1=O)CC(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

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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 C21H26N4O6 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O6/c1-4-31-17(27)10-15-20(28)22-7-8-25(15)11-16(26)24-18-13-9-12(2)5-6-14(13)23-19(18)21(29)30-3/h5-6,9,15,23H,4,7-8,10-11H2,1-3H3,(H,22,28)(H,24,26)/t15-/m1/s1
InChIKey
CBTOHKVYYAJWHN-OAHLLOKOSA-N
Synonyms
956815-47-7
(R)methyl3(2(2(2ethoxy2oxoethyl)3oxopiperazin1yl)acetamido)5methyl1Hindole2carboxylate
16396795
956815477
CCOC(=O)C(C@H)1N(CCNC1=O)CC(=O)Nc1c((nH)c2c1cc(C)cc2)C(=O)OC
InChI=1SC21H26N4O6c143117(27)101520(28)227825(15)1116(26)241813912(2)5614(13)2319(18)21(29)303h5691523H4781011H213H3(H2228)(H2426)t15m1s1
methyl3((((2R)2(2ethoxy2oxoethyl)3oxopiperazin1yl)acetyl)amino)5methyl1Hindole2carboxylate
methyl3((2((2~(R))2(2ethoxy2oxoethyl)3oxopiperazin1yl)acetyl)amino)5methyl1~(H)indole2carboxylate
MFCD02058917
ZINC000035361434
ZINC35361434

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Available files

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