Vitas-M small molecule compound
N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-propylpentanamide
Catalog ID
STK203664
SMILES CCCC(C(=O)/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]c2c1cc(Cl)cc2)CCC
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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 C25H33ClN6O MW 469.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33ClN6O/c1-5-7-18(8-6-2)23(33)31-24(32-25-29-16(3)13-17(4)30-25)27-12-11-19-15-28-22-10-9-20(26)14-21(19)22/h9-10,13-15,18,28H,5-8,11-12H2,1-4H3,(H2,27,29,30,31,32,33)InChIKey
CENYNGMQQGWEOP-UHFFFAOYSA-NSynonyms
(1E)1((46DIMETHYLPYRIMIDIN2YL)AMINO)1((2(5CHLOROINDOL3YL)ETHYL)AMINO)4PROPYL2AZAHEPT1EN3ONE
(E)N((2(5CHLORO1HINDOL3YL)ETHYLAMINO)(46DIMETHYLPYRIMIDIN2YLAMINO)METHYLENE)2PROPYLPENTANAMIDE
CCCC(C(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cc(Cl)cc2)CCC
CCCC(CCC)C(=O)NC(=NCCC1=CNC2=C1C=C(C=C2)Cl)NC3=NC(=CC(=N3)C)C
InChI=1SC25H33ClN6Oc15718(862)23(33)3124(32252916(3)1317(4)3025)2712111915282210920(26)1421(19)22h91013151828H581112H214H3(H2272930313233)
MFCD06650258
N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)2propylpentanamide
N(N(2(5CHLORO1HINDOL3YL)ETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)2PROPYLPENTANAMIDE
ZINC000014671525
ZINC14671525
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