Vitas-M small molecule compound

(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STL049873
SMILES COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C/N[NH+]2CCCCC2)/C1=O)[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 C20H26N4O5 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5/c1-28-16-7-6-14(12-17(16)29-2)8-11-24-19(26)15(18(25)22-20(24)27)13-21-23-9-4-3-5-10-23/h6-7,12-13,21H,3-5,8-11H2,1-2H3,(H,22,25,27)/b15-13-
InChIKey
NZKHRDUZSFGEPP-SQFISAMPSA-N
Synonyms

(5Z)1(2(34dimethoxyphenyl)ethyl)26dioxo5((piperidinium1ylamino)methylidene)1256tetrahydropyrimidin4olate
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)46DIOXO5((PIPERIDIN1IUM1YLAMINO)METHYLIDENE)PYRIMIDIN2OLATE
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((PIPERIDIN1YLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
1(2(34DIMETHOXYPHENYL)ETHYL)5(1(PIPERIDIN1YLAMINO)METH(Z)YLIDENE)PYRIMIDINE246TRIONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CN(NH+)3CCCCC3)C(=O)N=C2(O))OC
COc1ccc(cc1OC)CCN1C(=O)N=C(C(=CN(NH+)2CCCCC2)C1=O)(O)
InChI=1SC20H26N4O5c128167614(1217(16)292)8112419(26)15(18(25)2220(24)27)13212394351023h67121321H35811H212H3(H222527)b1513
MFCD18249298
ZINC000017206225
ZINC17206225

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Available files

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