Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363813
SMILES Clc1ccc2c(c1)c(=O)c(co2)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
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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 C27H28ClNO6 MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO6/c1-14-22(26(32)35-12-16-5-4-8-33-16)23(24-19(29-14)10-27(2,3)11-20(24)30)18-13-34-21-7-6-15(28)9-17(21)25(18)31/h6-7,9,13,16,23,29H,4-5,8,10-12H2,1-3H3InChIKey
QBNARLUTKLOSHB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OCC5CCCO5
InChI=1SC27H28ClNO6c11422(26(32)3512165483316)23(2419(2914)1027(23)1120(24)30)181334217615(28)917(21)25(18)31h67913162329H4581012H213H3
MFCD01825080
oxolan2ylmethyl4(6chloro4oxochromen3yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl4(6chloro4oxo4Hchromen3yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019781976
ZINC000019781979
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