Vitas-M small molecule compound

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(9H-purin-6-yl)piperidine-4-carboxamide

Catalog ID
STK619003
SMILES O=C(C1CCN(CC1)c1ncnc2c1nc[nH]2)NCCc1c[nH]c2c1cc(Cl)cc2

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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 C21H22ClN7O MW 423.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN7O/c22-15-1-2-17-16(9-15)14(10-24-17)3-6-23-21(30)13-4-7-29(8-5-13)20-18-19(26-11-25-18)27-12-28-20/h1-2,9-13,24H,3-8H2,(H,23,30)(H,25,26,27,28)
InChIKey
FHJVEDHRMQPXGI-UHFFFAOYSA-N
Synonyms
920436-65-3
920436653
C1CN(CCC1C(=O)NCCC2=CNC3=C2C=C(C=C3)Cl)C4=NC=NC5=C4NC=N5
InChI=1SC21H22ClN7Oc2215121716(915)14(102417)362321(30)134729(8513)201819(26112518)27122820h1291324H38H2(H2330)(H25262728)
MFCD09796830
N(2(5chloro1Hindol3yl)ethyl)1(7Hpurin6yl)piperidine4carboxamide
N(2(5chloro1Hindol3yl)ethyl)1(9Hpurin6yl)piperidine4carboxamide
O=C(C1CCN(CC1)c1ncnc2c1(nH)cn2)NCCc1c(nH)c2c1cc(Cl)cc2
O=C(C1CCN(CC1)c1ncnc2c1nc(nH)2)NCCc1c(nH)c2c1cc(Cl)cc2
ZINC000009059860
ZINC09059860
ZINC9059860

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Available files

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