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-[2-(1,3-benzodioxol-5-yloxy)ethyl]glycinamide

Catalog ID
STL549171
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)NCCOc1ccc2c(c1)OCO2)NC(=O)C

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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 C32H35N3O9 MW 605.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O9/c1-18(36)35-23-8-5-19-13-28(39-2)31(40-3)32(41-4)30(19)21-7-9-24(25(37)15-22(21)23)34-16-29(38)33-11-12-42-20-6-10-26-27(14-20)44-17-43-26/h6-7,9-10,13-15,23H,5,8,11-12,16-17H2,1-4H3,(H,33,38)(H,34,37)(H,35,36)/t23-/m0/s1
InChIKey
OBZBULJVPPUZEF-QHCPKHFHSA-N
Synonyms

(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(benzo(d)(13)dioxol5yloxy)ethyl)acetamide
121541656
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(13benzodioxol5yloxy)ethyl)acetamide
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)NCCOc1ccc2c(c1)OCO2)NC(=O)C
InChI=1SC32H35N3O9c118(36)352385191328(392)31(403)32(414)30(19)217924(25(37)1522(21)23)341629(38)33111242206102627(1420)44174326h67910131523H5811121617H214H3(H3338)(H3437)(H3536)t23m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(13benzodioxol5yloxy)ethyl)glycinamide
ZINC000263585946
ZINC263585946

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Available files

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