Vitas-M small molecule compound
1-{5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl}piperidine-4-carboxamide
Catalog ID
STK695357
SMILES O=C(CC1C(=O)Nc2c1c(=O)[nH]c(n2)N1CCC(CC1)C(=O)N)Nc1ccc2c(c1)OCO2
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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 C21H22N6O6 MW 454.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O6/c22-17(29)10-3-5-27(6-4-10)21-25-18-16(20(31)26-21)12(19(30)24-18)8-15(28)23-11-1-2-13-14(7-11)33-9-32-13/h1-2,7,10,12H,3-6,8-9H2,(H2,22,29)(H,23,28)(H2,24,25,26,30,31)InChIKey
OAYIYMMBWVTHQW-UHFFFAOYSA-NSynonyms
1(5(2(13benzodioxol5ylamino)2oxoethyl)46dioxo4567tetrahydro3Hpyrrolo(23d)pyrimidin2yl)piperidine4carboxamide
1(5(2(13benzodioxol5ylamino)2oxoethyl)46dioxo57dihydro1Hpyrrolo(23d)pyrimidin2yl)piperidine4carboxamide
C1CN(CCC1C(=O)N)C2=NC(=O)C3=C(N2)NC(=O)C3CC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC21H22N6O6c2217(29)103527(6410)21251816(20(31)2621)12(19(30)2418)815(28)2311121314(711)3393213h1271012H3689H2(H22229)(H2328)(H22425263031)
MFCD18075312
O=C(CC1C(=O)Nc2c1c(=O)(nH)c(n2)N1CCC(CC1)C(=O)N)Nc1ccc2c(c1)OCO2
ZINC000036559027
ZINC000100246811
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