Vitas-M small molecule compound
cyclopentyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372511
SMILES COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
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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 C26H31NO5 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5/c1-15-21(25(30)32-18-7-5-6-8-18)22(16-9-11-17(12-10-16)24(29)31-4)23-19(27-15)13-26(2,3)14-20(23)28/h9-12,18,22,27H,5-8,13-14H2,1-4H3InChIKey
RSVXXSFYCPLCLZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OC4CCCC4
cyclopentyl4(4(methoxycarbonyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4methoxycarbonylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H31NO5c11521(25(30)3218756818)22(1691117(121016)24(29)314)2319(2715)1326(23)1420(23)28h912182227H581314H214H3
MFCD00752958
ZINC000019535476
ZINC000019535478
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