Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(3,4,5-trifluorophenyl)butanamide
Catalog ID
STL548718
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1cc(F)c(c(c1)F)F)NC(=O)C
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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 C31H32F3N3O6 MW 599.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32F3N3O6/c1-16(38)36-23-9-7-17-12-26(41-2)30(42-3)31(43-4)28(17)19-8-10-24(25(39)15-20(19)23)35-11-5-6-27(40)37-18-13-21(32)29(34)22(33)14-18/h8,10,12-15,23H,5-7,9,11H2,1-4H3,(H,35,39)(H,36,38)(H,37,40)/t23-/m0/s1InChIKey
HKPHXQYGGGCMRT-QHCPKHFHSA-NSynonyms
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(345trifluorophenyl)butanamide
110206572
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(345trifluorophenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(345trifluorophenyl)butanamide
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1cc(F)c(c(c1)F)F)NC(=O)C
InChI=1SC31H32F3N3O6c116(38)362397171226(412)30(423)31(434)28(17)1981024(25(39)1520(19)23)35115627(40)37181321(32)29(34)22(33)1418h810121523H57911H214H3(H3539)(H3638)(H3740)t23m0s1
ZINC000253403772
ZINC253403772
Check stock
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Check stock on Vitas-MAvailable files
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