Vitas-M small molecule compound

N'-{(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}tricyclo[3.3.1.1~3,7~]decane-1-carbohydrazide

Catalog ID
STL359473
SMILES Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NNC(=O)C23CC4CC(C3)CC(C2)C4)/C1=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 C22H23ClN4O4 MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O4/c23-15-1-3-16(4-2-15)27-19(29)17(18(28)25-21(27)31)11-24-26-20(30)22-8-12-5-13(9-22)7-14(6-12)10-22/h1-4,11-14,24H,5-10H2,(H,26,30)(H,25,28,31)/b17-11-
InChIKey
CZPDNJDQKAIZIK-BOPFTXTBSA-N
Synonyms

ADAMANTANYLN(((1(4CHLOROPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)CARBOXAMIDE
C1C2CC3CC1CC(C2)(C3)C(=O)NNC=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)N1C(=O)NC(=O)C(=CNNC(=O)C23CC4CC(C3)CC(C2)C4)C1=O
InChI=1SC22H23ClN4O4c23151316(4215)2719(29)17(18(28)2521(27)31)11242620(30)22812513(922)714(612)1022h14111424H510H2(H2630)(H252831)b1711
N((1(4CHLOROPHENYL)246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1ADAMANTANECARBOHYDRAZIDE
N((Z)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)ADAMANTANE1CARBOHYDRAZIDE
N((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)tricyclo(3311~37~)decane1carbohydrazide
ZINC000008430147
ZINC08430147
ZINC8430147

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.