Vitas-M small molecule compound

methyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}acetyl)amino]-1H-indole-2-carboxylate

Catalog ID
STL158422
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)cccc2

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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 C29H29ClN4O3 MW 517.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4O3/c1-37-29(36)27-26(23-9-5-6-10-24(23)31-27)32-25(35)19-33-15-17-34(18-16-33)28(20-7-3-2-4-8-20)21-11-13-22(30)14-12-21/h2-14,28,31H,15-19H2,1H3,(H,32,35)
InChIKey
XSTRPVSRISMEHZ-UHFFFAOYSA-N
Synonyms
848988-28-3
848988283
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI=1SC29H29ClN4O3c13729(36)2726(239561024(23)3127)3225(35)1933151734(181633)28(207324820)21111322(30)141221h2142831H1519H21H3(H3235)
methyl3(((4((4chlorophenyl)(phenyl)methyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL3((2(4((4CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl3(2(4((4chlorophenyl)(phenyl)methyl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD05678696
ZINC000020462080
ZINC000020462083

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Available files

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