Vitas-M small molecule compound
ethyl 5-fluoro-3-[(2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
Catalog ID
STK538662
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C/C=C/c1ccccc1)C)cc(cc2)F
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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 C27H31FN4O3 MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN4O3/c1-3-35-27(34)25-24(22-18-21(28)11-12-23(22)29-25)30-26(33)19(2)32-16-14-31(15-17-32)13-7-10-20-8-5-4-6-9-20/h4-12,18-19,29H,3,13-17H2,1-2H3,(H,30,33)/b10-7+InChIKey
QDOYMWNGWUFNKH-JXMROGBWSA-NSynonyms
(E)ethyl3(2(4cinnamylpiperazin1yl)propanamido)5fluoro1Hindole2carboxylate
CCOC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)CC=Cc1ccccc1)C)cc(cc2)F
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)CC=CC4=CC=CC=C4
ethyl5fluoro3((2(4((2E)3phenylprop2en1yl)piperazin1yl)propanoyl)amino)1Hindole2carboxylate
ETHYL5FLUORO3(2(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
InChI=1SC27H31FN4O3c133527(34)2524(221821(28)111223(22)2925)3026(33)19(2)32161431(151732)13710208546920h412181929H31317H212H3(H3033)b107+
MFCD03000568
ZINC000022930523
ZINC000022930526
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