Vitas-M small molecule compound

cyclopentyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK079398
SMILES O=C1NC(C(=C(N1C)C)C(=O)OC1CCCC1)c1cc2OCOc2cc1[N+](=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 C19H21N3O7 MW 403.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O7/c1-10-16(18(23)29-11-5-3-4-6-11)17(20-19(24)21(10)2)12-7-14-15(28-9-27-14)8-13(12)22(25)26/h7-8,11,17H,3-6,9H2,1-2H3,(H,20,24)
InChIKey
GUFKDOZSNUQIAS-UHFFFAOYSA-N
Synonyms
312622-77-8
312622778
CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2(N+)(=O)(O))OCO3)C(=O)OC4CCCC4
cyclopentyl16dimethyl4(6nitro13benzodioxol5yl)2oxo1234tetrahydropyrimidine5carboxylate
CYCLOPENTYL16DIMETHYL4(6NITRO13BENZODIOXOL5YL)2OXO34DIHYDROPYRIMIDINE5CARBOXYLATE
CYCLOPENTYL34DIMETHYL6(6NITRO13BENZODIOXOL5YL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC19H21N3O7c11016(18(23)2911534611)17(2019(24)21(10)2)1271415(2892714)813(12)22(25)26h781117H369H212H3(H2024)
MFCD00785394
O=C1NC(C(=C(N1C)C)C(=O)OC1CCCC1)c1cc2OCOc2cc1(N+)(=O)(O)
STK079398
ZINC000002941482
ZINC000002941484

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Available files

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