Vitas-M small molecule compound
cyclohexyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK030965
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)(C)C)OC1CCCCC1
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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 C26H30ClNO5 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClNO5/c1-14-22(25(30)33-15-7-5-4-6-8-15)23(16-9-20-21(10-17(16)27)32-13-31-20)24-18(28-14)11-26(2,3)12-19(24)29/h9-10,15,23,28H,4-8,11-13H2,1-3H3InChIKey
RWNZKIHAZNZGOB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Cl)OCO4)C(=O)OC5CCCCC5
cyclohexyl4(6chloro13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(6chloro13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H30ClNO5c11422(25(30)33157546815)23(1692021(1017(16)27)32133120)2418(2814)1126(23)1219(24)29h910152328H481113H213H3
MFCD00770995
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)(C)C)OC1CCCCC1
STK030965
ZINC000019943543
ZINC000019943548
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