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-cyclopentylbutanamide

Catalog ID
STL543403
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NC2CCCC2)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 C30H39N3O6 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O6/c1-18(34)32-23-13-11-19-16-26(37-2)29(38-3)30(39-4)28(19)21-12-14-24(25(35)17-22(21)23)31-15-7-10-27(36)33-20-8-5-6-9-20/h12,14,16-17,20,23H,5-11,13,15H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t23-/m0/s1
InChIKey
KPNIQCILOJCCKL-QHCPKHFHSA-N
Synonyms
1574391-24-4
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclopentylbutanamide
1574391244
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclopentylbutanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclopentylbutanamide
75491897
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NC2CCCC2)NC(=O)C)cc(c1OC)OC
InChI=1SC30H39N3O6c118(34)32231311191626(372)29(383)30(394)28(19)21121424(25(35)1722(21)23)311571027(36)3320856920h121416172023H5111315H214H3(H3135)(H3234)(H3336)t23m0s1
ZINC000096221972
ZINC96221972

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Available files

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