Vitas-M small molecule compound

3-{[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

Catalog ID
STL513139
SMILES COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1cc(OC)c(c(c1)OC)O

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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 C20H18N4O6 MW 410.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O6/c1-28-11-4-5-13-12(8-11)16-17(22-13)19(26)24(20(27)23-16)21-9-10-6-14(29-2)18(25)15(7-10)30-3/h4-9,22,25H,1-3H3,(H,23,27)/b21-9+
InChIKey
BHOHZFPKTPAQCA-ZVBGSRNCSA-N
Synonyms

(E)3((4HYDROXY35DIMETHOXYBENZYLIDENE)AMINO)8METHOXY1HPYRIMIDO(54B)INDOLE24(3H5H)DIONE
135580383
3(((E)(4hydroxy35dimethoxyphenyl)methylidene)amino)8methoxy1Hpyrimido(54b)indole24(3H5H)dione
3((~(E))(4hydroxy35dimethoxyphenyl)methylideneamino)8methoxy15dihydropyrimido(54b)indole24dione
3((35DIMETHOXY4OXOCYCLOHEXA25DIEN1YLIDENE)METHYLAMINO)8METHOXY15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
374758346
COc1ccc2c(c1)c1(nH)c(=O)n(c(=O)c1(nH)2)N=Cc1cc(OC)c(c(c1)OC)O
InChI=1SC20H18N4O6c12811451312(811)1617(2213)19(26)24(20(27)2316)21910614(292)18(25)15(710)303h492225H13H3(H2327)b219+
MFCD02057710
ZINC000009167633

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Available files

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