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4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(4-sulfamoylbenzyl)butanamide

Catalog ID
STL541780
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCc2ccc(cc2)S(=O)(=O)N)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 C32H38N4O8S MW 638.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O8S/c1-19(37)36-25-13-9-21-16-28(42-2)31(43-3)32(44-4)30(21)23-12-14-26(27(38)17-24(23)25)34-15-5-6-29(39)35-18-20-7-10-22(11-8-20)45(33,40)41/h7-8,10-12,14,16-17,25H,5-6,9,13,15,18H2,1-4H3,(H,34,38)(H,35,39)(H,36,37)(H2,33,40,41)/t25-/m0
InChIKey
HWOWHTYRAWTQRR-VWLOTQADSA-N
Synonyms
1574397-54-8
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4sulfamoylbenzyl)butanamide
1574397548
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((4sulfamoylphenyl)methyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4sulfamoylbenzyl)butanamide
75491249
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NCc2ccc(cc2)S(=O)(=O)N)NC(=O)C)cc(c1OC)OC
InChI=1SC32H38N4O8Sc119(37)3625139211628(422)31(433)32(444)30(21)23121426(27(38)1724(23)25)34155629(39)35182071022(11820)45(3340)41h78101214161725H569131518H214H3(H3438)(H3539)(H3637)(H2334041)t25m0s1
ZINC000150653115
ZINC150653115

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Available files

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

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