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-(2-phenylethyl)butanamide

Catalog ID
STL541118
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCCc2ccccc2)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 C33H39N3O6 MW 573.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O6/c1-21(37)36-26-14-12-23-19-29(40-2)32(41-3)33(42-4)31(23)24-13-15-27(28(38)20-25(24)26)34-17-8-11-30(39)35-18-16-22-9-6-5-7-10-22/h5-7,9-10,13,15,19-20,26H,8,11-12,14,16-18H2,1-4H3,(H,34,38)(H,35,39)(H,36,37)/t26-/m0/s1
InChIKey
KETYRLNPXQJZIM-SANMLTNESA-N
Synonyms
1574353-06-2
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Nphenethylbutanamide
1574353062
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2phenylethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2phenylethyl)butanamide
75491017
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NCCc2ccccc2)NC(=O)C)cc(c1OC)OC
InChI=1SC33H39N3O6c121(37)36261412231929(402)32(413)33(424)31(23)24131527(28(38)2025(24)26)341781130(39)3518162296571022h579101315192026H81112141618H214H3(H3438)(H3539)(H3637)t26m0s1
ZINC000108447471
ZINC108447471

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Available files

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