Vitas-M small molecule compound

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

Catalog ID
STK217875
SMILES COc1ccc2c(c1)c(CCN/C(=N\C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC)/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 C30H34N6O5 MW 558.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N6O5/c1-18-13-19(2)34-30(33-18)36-29(31-12-11-21-17-32-24-9-8-22(38-3)16-23(21)24)35-27(37)10-7-20-14-25(39-4)28(41-6)26(15-20)40-5/h7-10,13-17,32H,11-12H2,1-6H3,(H2,31,33,34,35,36,37)/b10-7+
InChIKey
WMWJZHULYLTDNY-JXMROGBWSA-N
Synonyms

(1E4E)1((46DIMETHYLPYRIMIDIN2YL)AMINO)1((2(5METHOXYINDOL3YL)ETHYL)AMINO)5(345TRIMETHOXYPHENYL)2AZAPENTA14DIEN3ONE
(2E)N((E)((46dimethylpyrimidin2yl)amino)((2(5methoxy1Hindol3yl)ethyl)amino)methylidene)3(345trimethoxyphenyl)prop2enamide
(E)N(N(46dimethylpyrimidin2yl)N(2(5methoxy1Hindol3yl)ethyl)carbamimidoyl)3(345trimethoxyphenyl)prop2enamide
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)OC)NC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)C
COc1ccc2c(c1)c(CCNC(=NC(=O)C=Cc1cc(OC)c(c(c1)OC)OC)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC30H34N6O5c1181319(2)3430(3318)3629(311211211732249822(383)1623(21)24)3527(37)107201425(394)28(416)26(1520)405h710131732H1112H216H3(H2313334353637)b107+
MFCD06755195
ZINC000097961725
ZINC97961725

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Available files

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