Vitas-M small molecule compound

ethyl 3-({3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoyl}amino)-5-methoxy-1H-indole-2-carboxylate

Catalog ID
STK549462
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cc(Cl)ccc1C)cc(cc2)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 C26H31ClN4O4 MW 499.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN4O4/c1-4-35-26(33)25-24(20-16-19(34-3)7-8-21(20)28-25)29-23(32)9-10-30-11-13-31(14-12-30)22-15-18(27)6-5-17(22)2/h5-8,15-16,28H,4,9-14H2,1-3H3,(H,29,32)
InChIKey
DPOBTXXZONPRBR-UHFFFAOYSA-N
Synonyms
799810-16-5
799810165
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCN(CC1)c1cc(Cl)ccc1C)cc(cc2)OC
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCN(CC3)C4=C(C=CC(=C4)Cl)C
ethyl3((3(4(5chloro2methylphenyl)piperazin1yl)propanoyl)amino)5methoxy1Hindole2carboxylate
ethyl3(3(4(5chloro2methylphenyl)piperazin1yl)propanamido)5methoxy1Hindole2carboxylate
ETHYL3(3(4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)5METHOXY1HINDOLE2CARBOXYLATE
InChI=1SC26H31ClN4O4c143526(33)2524(201619(343)7821(20)2825)2923(32)91030111331(141230)221518(27)6517(22)2h58151628H4914H213H3(H2932)
MFCD03680336
ZINC000009477804
ZINC9477804

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Available files

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