Vitas-M small molecule compound

N-[(7S)-10-{[2-(3-fluorophenyl)ethyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL530958
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCc2cccc(c2)F)NC(=O)C)cc(c1OC)OC

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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 C29H31FN2O5 MW 506.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31FN2O5/c1-17(33)32-23-10-8-19-15-26(35-2)28(36-3)29(37-4)27(19)21-9-11-24(25(34)16-22(21)23)31-13-12-18-6-5-7-20(30)14-18/h5-7,9,11,14-16,23H,8,10,12-13H2,1-4H3,(H,31,34)(H,32,33)/t23-/m0/s1
InChIKey
JOQLNGOHDIFJBA-QHCPKHFHSA-N
Synonyms
1173662-13-9
(S)N(10((3fluorophenethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10(2(3fluorophenyl)ethylamino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1173662139
6572928
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCc2cccc(c2)F)NC(=O)C)cc(c1OC)OC
InChI=1SC29H31FN2O5c117(33)3223108191526(352)28(363)29(374)27(19)2191124(25(34)1622(21)23)3113121865720(30)1418h57911141623H8101213H214H3(H3134)(H3233)t23m0s1
N((7S)10((2(3fluorophenyl)ethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(2(3FLUOROPHENYL)ETHYLAMINO)123TRIMETHOXY9OXO67DIHYDRO5HBENZO(A)HEPTALEN7YL)ACETAMIDE
ZINC000012872584
ZINC12872584

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Available files

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