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-(1H-benzimidazol-2-ylmethyl)glycinamide

Catalog ID
STL543762
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCC(=O)NCc1nc2c([nH]1)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 C31H33N5O6 MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O6/c1-17(37)34-21-11-9-18-13-26(40-2)30(41-3)31(42-4)29(18)19-10-12-24(25(38)14-20(19)21)32-16-28(39)33-15-27-35-22-7-5-6-8-23(22)36-27/h5-8,10,12-14,21H,9,11,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,37)(H,35,36)/t21-/m0/s1
InChIKey
ASOYTTYGBOPPMB-NRFANRHFSA-N
Synonyms
1574343-46-6
(S)N((1Hbenzo(d)imidazol2yl)methyl)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetamide
1574343466
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)benzimidazol2ylmethyl)acetamide
75491035
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCC(=O)NCc1nc2c((nH)1)cccc2
InChI=1SC31H33N5O6c117(37)3421119181326(402)30(413)31(424)29(18)19101224(25(38)1420(19)21)321628(39)3315273522756823(22)3627h5810121421H9111516H214H3(H3238)(H3339)(H3437)(H3536)t21m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1Hbenzimidazol2ylmethyl)glycinamide
ZINC000108447511
ZINC108447511

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Available files

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