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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}glycinamide

Catalog ID
STL546890
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)NCCn2c(CO)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 C33H37N5O7 MW 615.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O7/c1-19(40)36-23-11-9-20-15-28(43-2)32(44-3)33(45-4)31(20)21-10-12-25(27(41)16-22(21)23)35-17-30(42)34-13-14-38-26-8-6-5-7-24(26)37-29(38)18-39/h5-8,10,12,15-16,23,39H,9,11,13-14,17-18H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/t23-/m0/s1
InChIKey
WYRKHLFFEPEXGT-QHCPKHFHSA-N
Synonyms

(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(2(hydroxymethyl)1Hbenzo(d)imidazol1yl)ethyl)acetamide
121541600
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2(hydroxymethyl)benzimidazol1yl)ethyl)acetamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)NCCn2c(CO)nc3c2cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC33H37N5O7c119(40)3623119201528(432)32(443)33(454)31(20)21101225(27(41)1622(21)23)351730(42)3413143826865724(26)3729(38)1839h58101215162339H91113141718H214H3(H3442)(H3541)(H3640)t23m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2(hydroxymethyl)1Hbenzimidazol1yl)ethyl)glycinamide
ZINC000263586694
ZINC263586694

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Available files

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

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