Vitas-M small molecule compound
[4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
Catalog ID
STK023157
SMILES COc1ccc(cc1)C1OCC2(C(C1C(=CC2C)C)C)COC(=O)c1nn(cc1Br)CC
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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 C25H31BrN2O4 MW 503.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31BrN2O4/c1-6-28-12-20(26)22(27-28)24(29)32-14-25-13-31-23(18-7-9-19(30-5)10-8-18)21(17(25)4)15(2)11-16(25)3/h7-12,16-17,21,23H,6,13-14H2,1-5H3InChIKey
XLECNXKQHXFGJN-UHFFFAOYSA-NSynonyms
((1R5R9S)4(4methoxyphenyl)689trimethyl3oxabicyclo(331)non6en1yl)methyl4bromo1ethyl1Hpyrazole3carboxylate
(4(4METHOXYPHENYL)689TRIMETHYL3OXABICYCLO(331)NON6EN1YL)METHYL4BROMO1ETHYL1HPYRAZOLE3CARBOXYLATE
(8(4METHOXYPHENYL)249TRIMETHYL7OXABICYCLO(331)NON2EN5YL)METHYL4BROMO1ETHYLPYRAZOLE3CARBOXYLATE
CCN1C=C(C(=N1)C(=O)OCC23COC(C(C2C)C(=CC3C)C)C4=CC=C(C=C4)OC)Br
COc1ccc(cc1)C1OC(C@@)2(C((C@@H)1C(=CC2C)C)C)COC(=O)c1nn(cc1Br)CC
COc1ccc(cc1)C1OCC2(C(C1C(=CC2C)C)C)COC(=O)c1nn(cc1Br)CC
InChI=1SC25H31BrN2O4c16281220(26)22(2728)24(29)321425133123(187919(305)10818)21(17(25)4)15(2)1116(25)3h71216172123H61314H215H3
MFCD02766464
STK023157
ZINC000043737424
ZINC000245298146
Check stock
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Check stock on Vitas-MAvailable files
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