Vitas-M small molecule compound

(5-methyl-1H-indol-3-yl)[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]acetic acid

Catalog ID
STL235936
SMILES COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(c1c[nH]c2c1cc(C)cc2)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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-16-5-7-20-18(13-16)19(14-26-20)22(25(29)30)28-11-9-27(10-12-28)15-17-6-8-21(31-2)24(33-4)23(17)32-3/h5-8,13-14,22,26H,9-12,15H2,1-4H3,(H,29,30)
InChIKey
JLHXDWMBSDFHRS-UHFFFAOYSA-N
Synonyms
1081129-62-5
(5methyl1Hindol3yl)(4(234trimethoxybenzyl)piperazin1yl)aceticacid
1081129625
2(5methyl1Hindol3yl)2(4((234trimethoxyphenyl)methyl)piperazin1yl)aceticacid
2(5methyl1Hindol3yl)2(4(234trimethoxybenzyl)piperazin1yl)aceticacid
CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC
COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(c1c(nH)c2c1cc(C)cc2)C(=O)O
InChI=1SC25H31N3O5c116572018(1316)19(142620)22(25(29)30)2811927(101228)15176821(312)24(334)23(17)323h5813142226H91215H214H3(H2930)
MFCD12207959
ZINC000020730563
ZINC000020730567

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Available files

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