Vitas-M small molecule compound
methyl 5-chloro-3-[(2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
Catalog ID
STK542547
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C/C=C/c1ccccc1)C)cc(cc2)Cl
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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 C26H29ClN4O3 MW 480.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN4O3/c1-18(31-15-13-30(14-16-31)12-6-9-19-7-4-3-5-8-19)25(32)29-23-21-17-20(27)10-11-22(21)28-24(23)26(33)34-2/h3-11,17-18,28H,12-16H2,1-2H3,(H,29,32)/b9-6+InChIKey
BXGJWVSVJGUAIW-RMKNXTFCSA-NSynonyms
(E)methyl5chloro3(2(4cinnamylpiperazin1yl)propanamido)1Hindole2carboxylate
CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N3CCN(CC3)CC=CC4=CC=CC=C4
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)CC=Cc1ccccc1)C)cc(cc2)Cl
InChI=1SC26H29ClN4O3c118(31151330(141631)1269197435819)25(32)2923211720(27)101122(21)2824(23)26(33)342h311171828H1216H212H3(H2932)b96+
methyl5chloro3((2(4((2E)3phenylprop2en1yl)piperazin1yl)propanoyl)amino)1Hindole2carboxylate
METHYL5CHLORO3(2(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD03290171
ZINC000020065223
ZINC000022931261
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