Vitas-M small molecule compound

(5Z)-5-(3,4-dihydroxybenzylidene)-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK031514
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(c(c1)O)O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3

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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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c30-22-6-1-15(11-23(22)31)10-21-24(32)28-26(34)29(25(21)33)20-4-2-19(3-5-20)27-12-16-7-17(13-27)9-18(8-16)14-27/h1-6,10-11,16-18,30-31H,7-9,12-14H2,(H,28,32,34)/b21-10-
InChIKey
KDMZNDVUKZAWNE-FBHDLOMBSA-N
Synonyms

(5Z)1(4(1ADAMANTYL)PHENYL)5((34DIHYDROXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)5(34dihydroxybenzylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N5C(=O)C(=CC6=CC(=C(C=C6)O)O)C(=O)NC5=O
InChI=1SC27H26N2O5c30226115(1123(22)31)102124(32)2826(34)29(25(21)33)204219(3520)271216717(1327)918(816)1427h16101116183031H791214H2(H283234)b2110
MFCD03228186
O=C1NC(=O)N(C(=O)C1=Cc1ccc(c(c1)O)O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
STK031514
ZINC000009144572
ZINC09144572
ZINC9144572

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Available files

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