Vitas-M small molecule compound

methyl 6-methoxy-3-({[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate

Catalog ID
STK555305
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)ccc(c2)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 C25H30N4O4 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4/c1-16-6-5-7-18(12-16)29-11-10-28(14-17(29)2)15-22(30)27-23-20-9-8-19(32-3)13-21(20)26-24(23)25(31)33-4/h5-9,12-13,17,26H,10-11,14-15H2,1-4H3,(H,27,30)
InChIKey
AZRKVCGPJXKVTI-UHFFFAOYSA-N
Synonyms
840515-48-2
840515482
CC1CN(CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=C3C=CC(=C4)OC)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)ccc(c2)OC
InChI=1SC25H30N4O4c11665718(1216)29111028(1417(29)2)1522(30)2723209819(323)1321(20)2624(23)25(31)334h5912131726H10111415H214H3(H2730)
methyl6methoxy3(((3methyl4(3methylphenyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL6METHOXY3((2(3METHYL4(3METHYLPHENYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl6methoxy3(2(3methyl4(mtolyl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD04010307
ZINC000002351848
ZINC000057064028

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Available files

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