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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-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]butanamide

Catalog ID
STL550618
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc(cc2)N2CCCCS2(=O)=O)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 C35H42N4O8S MW 678.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N4O8S/c1-22(40)37-28-15-9-23-20-31(45-2)34(46-3)35(47-4)33(23)26-14-16-29(30(41)21-27(26)28)36-17-7-8-32(42)38-24-10-12-25(13-11-24)39-18-5-6-19-48(39,43)44/h10-14,16,20-21,28H,5-9,15,17-19H2,1-4H3,(H,36,41)(H,37,40)(H,38,42)/t28-/m0/s1
InChIKey
OPZCYZUQMYJPSM-NDEPHWFRSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(11dioxido12thiazinan2yl)phenyl)butanamide
127254018
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(11dioxothiazinan2yl)phenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(11dioxido12thiazinan2yl)phenyl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc(cc2)N2CCCCS2(=O)=O)NC(=O)C)cc(c1OC)OC
InChI=1SC35H42N4O8Sc122(40)3728159232031(452)34(463)35(474)33(23)26141629(30(41)2127(26)28)36177832(42)3824101225(131124)3918561948(3943)44h101416202128H59151719H214H3(H3641)(H3740)(H3842)t28m0s1
ZINC000604406352
ZINC604406352

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Available files

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

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