Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)-L-alaninamide

Catalog ID
STL541478
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCC2CCOCC2)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 C30H39N3O7 MW 553.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O7/c1-17(30(36)31-16-19-10-12-40-13-11-19)32-24-9-7-21-22(15-25(24)35)23(33-18(2)34)8-6-20-14-26(37-3)28(38-4)29(39-5)27(20)21/h7,9,14-15,17,19,23H,6,8,10-13,16H2,1-5H3,(H,31,36)(H,32,35)(H,33,34)/t17-,23-/m0/s1
InChIKey
SDDGTPCMXSVJSD-SBUREZEXSA-N
Synonyms
1574289-63-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(oxan4ylmethyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((tetrahydro2Hpyran4yl)methyl)propanamide
1574289636
75491287
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCC2CCOCC2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC30H39N3O7c117(30(36)311619101240131119)3224972122(1525(24)35)23(3318(2)34)86201426(373)28(384)29(395)27(20)21h791415171923H68101316H215H3(H3136)(H3235)(H3334)t1723m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(tetrahydro2Hpyran4ylmethyl)Lalaninamide
ZINC000108448218
ZINC108448218

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Available files

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