Vitas-M small molecule compound

[6-bromo-1-(carboxymethyl)-1H-indol-3-yl]{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}acetic acid

Catalog ID
STK649494
SMILES OC(=O)Cn1cc(c2c1cc(Br)cc2)C(N1CCN(CC1)CC(=O)N(C)C)C(=O)O

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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 C20H25BrN4O5 MW 481.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrN4O5/c1-22(2)17(26)11-23-5-7-24(8-6-23)19(20(29)30)15-10-25(12-18(27)28)16-9-13(21)3-4-14(15)16/h3-4,9-10,19H,5-8,11-12H2,1-2H3,(H,27,28)(H,29,30)
InChIKey
ZLYZKQOOSMJOJJ-UHFFFAOYSA-N
Synonyms
1214165-04-4
(6bromo1(carboxymethyl)1Hindol3yl)(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
1214165044
2(6bromo1(carboxymethyl)1Hindol3yl)2(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
2(6bromo1(carboxymethyl)indol3yl)2(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
CN(C)C(=O)CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CC(=O)O)C(=O)O
InChI=1SC20H25BrN4O5c122(2)17(26)11235724(8623)19(20(29)30)151025(1218(27)28)16913(21)3414(15)16h3491019H581112H212H3(H2728)(H2930)
MFCD13760105
ZINC000036364879
ZINC000036364880

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Available files

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