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-methyl-1H-benzimidazol-2-yl)methyl]glycinamide

Catalog ID
STL541723
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCC(=O)NCc1nc2c(n1C)cccc2

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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 C32H35N5O6 MW 585.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N5O6/c1-18(38)35-22-12-10-19-14-27(41-3)31(42-4)32(43-5)30(19)20-11-13-24(26(39)15-21(20)22)33-17-29(40)34-16-28-36-23-8-6-7-9-25(23)37(28)2/h6-9,11,13-15,22H,10,12,16-17H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/t22-/m0/s1
InChIKey
GOMMOTMNDKRXHE-QFIPXVFZSA-N
Synonyms
1574344-06-1
(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1methyl1Hbenzo(d)imidazol2yl)methyl)acetamide
1574344061
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1methylbenzimidazol2yl)methyl)acetamide
75492314
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCC(=O)NCc1nc2c(n1C)cccc2
InChI=1SC32H35N5O6c118(38)35221210191427(413)31(424)32(435)30(19)20111324(26(39)1521(20)22)331729(40)3416283623867925(23)37(28)2h6911131522H10121617H215H3(H3339)(H3440)(H3538)t22m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1methyl1Hbenzimidazol2yl)methyl)glycinamide
ZINC000108450806
ZINC108450806

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Available files

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