Vitas-M small molecule compound

N-[(7S)-10-(4-benzylpiperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL529377
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N2CCN(CC2)Cc2ccccc2)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 C32H37N3O5 MW 543.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O5/c1-21(36)33-26-12-10-23-18-29(38-2)31(39-3)32(40-4)30(23)24-11-13-27(28(37)19-25(24)26)35-16-14-34(15-17-35)20-22-8-6-5-7-9-22/h5-9,11,13,18-19,26H,10,12,14-17,20H2,1-4H3,(H,33,36)/t26-/m0/s1
InChIKey
VWFCOPDGPMAMRW-SANMLTNESA-N
Synonyms
1173667-75-8
(S)N(10(4benzylpiperazin1yl)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10(4benzylpiperazin1yl)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1173667758
6352954
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N2CCN(CC2)Cc2ccccc2)NC(=O)C)cc(c1OC)OC
InChI=1SC32H37N3O5c121(36)33261210231829(382)31(393)32(404)30(23)24111327(28(37)1925(24)26)35161434(151735)20228657922h591113181926H1012141720H214H3(H3336)t26m0s1
N((7S)10(4benzylpiperazin1yl)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(4BENZYLPIPERAZIN1YL)123TRIMETHOXY9OXO67DIHYDRO5HBENZO(A)HEPTALEN7YL)ACETAMIDE
ZINC000070697432
ZINC70697432

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.