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-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl]glycinamide

Catalog ID
STL545590
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)NCCn2c(=O)c(O)nc3c2cccc3)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 C33H35N5O8 MW 629.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N5O8/c1-18(39)36-22-11-9-19-15-27(44-2)30(45-3)31(46-4)29(19)20-10-12-24(26(40)16-21(20)22)35-17-28(41)34-13-14-38-25-8-6-5-7-23(25)37-32(42)33(38)43/h5-8,10,12,15-16,22H,9,11,13-14,17H2,1-4H3,(H,34,41)(H,35,40)(H,36,39)(H,37,42)/t22-/m0/s1
InChIKey
SIUPOWKJJQGGPQ-QFIPXVFZSA-N
Synonyms
1676111-83-3
(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(3hydroxy2oxoquinoxalin1(2H)yl)ethyl)acetamide
1676111833
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(23dioxo4~(H)quinoxalin1yl)ethyl)acetamide
99997719
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)NCCn2c(=O)c(O)nc3c2cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC33H35N5O8c118(39)3622119191527(442)30(453)31(464)29(19)20101224(26(40)1621(20)22)351728(41)3413143825865723(25)3732(42)33(38)43h581012151622H911131417H214H3(H3441)(H3540)(H3639)(H3742)t22m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(3hydroxy2oxoquinoxalin1(2H)yl)ethyl)glycinamide
ZINC000217941562
ZINC217941562

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Available files

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