Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]prop-2-enamide

Catalog ID
STK231460
SMILES COc1ccc2c(c1)c(CCN/C(=N\C(=O)/C=C/c1ccc3c(c1)OCO3)/Nc1nc(C)cc(n1)C)c[nH]2

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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 C28H28N6O4 MW 512.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O4/c1-17-12-18(2)32-28(31-17)34-27(29-11-10-20-15-30-23-7-6-21(36-3)14-22(20)23)33-26(35)9-5-19-4-8-24-25(13-19)38-16-37-24/h4-9,12-15,30H,10-11,16H2,1-3H3,(H2,29,31,32,33,34,35)/b9-5+
InChIKey
QXKYWSFLEGOSMX-WEVVVXLNSA-N
Synonyms
879614-40-1
(1E4E)5(2HBENZO(34D)13DIOXOLEN5YL)1((46DIMETHYLPYRIMIDIN2YL)AMINO)1((2(5METHOXYINDOL3YL)ETHYL)AMINO)2AZAPENTA14DIEN3ONE
(2E)3(13benzodioxol5yl)N((E)((46dimethylpyrimidin2yl)amino)((2(5methoxy1Hindol3yl)ethyl)amino)methylidene)prop2enamide
(2ENE)3(benzo(d)(13)dioxol5yl)N(((46dimethylpyrimidin2yl)amino)((2(5methoxy1Hindol3yl)ethyl)amino)methylene)acrylamide
(E)3(13benzodioxol5yl)N(N(46dimethylpyrimidin2yl)N(2(5methoxy1Hindol3yl)ethyl)carbamimidoyl)prop2enamide
879614401
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)OC)NC(=O)C=CC4=CC5=C(C=C4)OCO5)C
COc1ccc2c(c1)c(CCNC(=NC(=O)C=Cc1ccc3c(c1)OCO3)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC28H28N6O4c1171218(2)3228(3117)3427(291110201530237621(363)1422(20)23)3326(35)9519482425(1319)38163724h49121530H101116H213H3(H2293132333435)b95+
MFCD07181092
ZINC000018222247
ZINC18222247

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Available files

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