Vitas-M small molecule compound

1,3-benzodioxol-5-ylmethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK363527
SMILES O=C1NC(=C(C(N1)c1cccc(c1)[N+](=O)[O-])C(=O)OCc1ccc2c(c1)OCO2)C

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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 C20H17N3O7 MW 411.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7/c1-11-17(19(24)28-9-12-5-6-15-16(7-12)30-10-29-15)18(22-20(25)21-11)13-3-2-4-14(8-13)23(26)27/h2-8,18H,9-10H2,1H3,(H2,21,22,25)
InChIKey
ILQOPYNFADFQSM-UHFFFAOYSA-N
Synonyms

13benzodioxol5ylmethyl6methyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
13BENZODIOXOL5YLMETHYL6METHYL4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2HBENZO(34D)13DIOXOLAN5YLMETHYL4METHYL6(3NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC3=CC4=C(C=C3)OCO4
InChI=1SC20H17N3O7c11117(19(24)28912561516(712)30102915)18(2220(25)2111)1332414(813)23(26)27h2818H910H21H3(H2212225)
MFCD01192962
O=C1NC(=C(C(N1)c1cccc(c1)(N+)(=O)(O))C(=O)OCc1ccc2c(c1)OCO2)C
ZINC000000844444
ZINC000000844445

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Available files

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