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-(1,3-benzodioxol-5-ylmethyl)-L-alaninamide

Catalog ID
STL541615
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)C)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 C32H35N3O8 MW 589.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O8/c1-17(32(38)33-15-19-6-11-26-27(12-19)43-16-42-26)34-24-10-8-21-22(14-25(24)37)23(35-18(2)36)9-7-20-13-28(39-3)30(40-4)31(41-5)29(20)21/h6,8,10-14,17,23H,7,9,15-16H2,1-5H3,(H,33,38)(H,34,37)(H,35,36)/t17-,23-/m0/s1
InChIKey
ROSUMYMHZWPPMV-SBUREZEXSA-N
Synonyms
1574379-66-0
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzodioxol5ylmethyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(benzo(d)(13)dioxol5ylmethyl)propanamide
1574379660
75492582
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)NCc1ccc2c(c1)OCO2)C)NC(=O)C
InChI=1SC32H35N3O8c117(32(38)3315196112627(1219)43164226)34241082122(1425(24)37)23(3518(2)36)97201328(393)30(404)31(415)29(20)21h6810141723H791516H215H3(H3338)(H3437)(H3536)t1723m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(13benzodioxol5ylmethyl)Lalaninamide
ZINC000108451561
ZINC108451561

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Available files

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