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N-[(7S)-10-({2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL548706
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)N2CCN(CC2)S(=O)(=O)N2CCCCCC2)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 C33H45N5O8S MW 671.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N5O8S/c1-22(39)35-26-11-9-23-19-29(44-2)32(45-3)33(46-4)31(23)24-10-12-27(28(40)20-25(24)26)34-21-30(41)36-15-17-38(18-16-36)47(42,43)37-13-7-5-6-8-14-37/h10,12,19-20,26H,5-9,11,13-18,21H2,1-4H3,(H,34,40)(H,35,39)/t26-/m0/s1
InChIKey
RPWXCJUFWFSJOA-SANMLTNESA-N
Synonyms

(S)N(10((2(4(azepan1ylsulfonyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((2(4(azepan1ylsulfonyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541912
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)N2CCN(CC2)S(=O)(=O)N2CCCCCC2)NC(=O)C)cc(c1OC)OC
InChI=1SC33H45N5O8Sc122(39)3526119231929(442)32(453)33(464)31(23)24101227(28(40)2025(24)26)342130(41)36151738(181636)47(4243)371375681437h1012192026H5911131821H214H3(H3440)(H3539)t26m0s1
N((7S)10((2(4(azepan1ylsulfonyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586241
ZINC263586241

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Available files

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

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