Vitas-M small molecule compound

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

Catalog ID
STL529399
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCC(C)C)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 C26H34N2O5 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O5/c1-15(2)11-12-27-21-10-8-18-19(14-22(21)30)20(28-16(3)29)9-7-17-13-23(31-4)25(32-5)26(33-6)24(17)18/h8,10,13-15,20H,7,9,11-12H2,1-6H3,(H,27,30)(H,28,29)/t20-/m0/s1
InChIKey
JNUDHPKFCRBFPA-FQEVSTJZSA-N
Synonyms
1173678-61-9
(S)N(10(isopentylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy10(3methylbutylamino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1173678619
16402131
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC26H34N2O5c115(2)111227211081819(1422(21)30)20(2816(3)29)97171323(314)25(325)26(336)24(17)18h810131520H791112H216H3(H2730)(H2829)t20m0s1
N((7S)123trimethoxy10((3methylbutyl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000012874327
ZINC12874327

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Available files

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