Vitas-M small molecule compound
(2Z)-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-3-(2-methoxyphenyl)prop-2-enamide
Catalog ID
STL447987
SMILES COc1ccc2c(c1)[nH]cc2CCN/C(=N/C(=O)/C=C\c1ccccc1OC)/Nc1nc(C)cc(n1)C
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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 C28H30N6O3 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O3/c1-18-15-19(2)32-28(31-18)34-27(33-26(35)12-9-20-7-5-6-8-25(20)37-4)29-14-13-21-17-30-24-16-22(36-3)10-11-23(21)24/h5-12,15-17,30H,13-14H2,1-4H3,(H2,29,31,32,33,34,35)/b12-9-InChIKey
LDQVAWLDZOKEOF-XFXZXTDPSA-NSynonyms
(2Z)N((Z)((46dimethylpyrimidin2yl)amino)((2(6methoxy1Hindol3yl)ethyl)amino)methylidene)3(2methoxyphenyl)prop2enamide
(Z)N(N(46dimethylpyrimidin2yl)N(2(6methoxy1Hindol3yl)ethyl)carbamimidoyl)3(2methoxyphenyl)prop2enamide
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC(=O)C=CC4=CC=CC=C4OC)C
COc1ccc2c(c1)(nH)cc2CCNC(=NC(=O)C=Cc1ccccc1OC)Nc1nc(C)cc(n1)C
InChI=1SC28H30N6O3c1181519(2)3228(3118)3427(3326(35)12920756825(20)374)291413211730241622(363)101123(21)24h512151730H1314H214H3(H2293132333435)b129
MFCD30712941
ZINC000101381772
ZINC101381772
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