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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-(4-oxoquinazolin-3(4H)-yl)ethyl]-L-valinamide

Catalog ID
STL550445
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCn2cnc3c(c2=O)cccc3)C(C)C)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 C36H41N5O7 MW 655.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N5O7/c1-20(2)32(35(44)37-15-16-41-19-38-26-10-8-7-9-24(26)36(41)45)40-28-14-12-23-25(18-29(28)43)27(39-21(3)42)13-11-22-17-30(46-4)33(47-5)34(48-6)31(22)23/h7-10,12,14,17-20,27,32H,11,13,15-16H2,1-6H3,(H,37,44)(H,39,42)(H,40,43)/t27-,32-/m0
InChIKey
QYLNMGPHWKMWJP-UCGGBYDDSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(4oxoquinazolin3yl)ethyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(4oxoquinazolin3(4H)yl)ethyl)butanamide
125429886
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCn2cnc3c(c2=O)cccc3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC36H41N5O7c120(2)32(35(44)371516411938261087924(26)36(41)45)402814122325(1829(28)43)27(3921(3)42)1311221730(464)33(475)34(486)31(22)23h710121417202732H11131516H216H3(H3744)(H3942)(H4043)t2732m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(4oxoquinazolin3(4H)yl)ethyl)Lvalinamide
ZINC000524731273
ZINC524731273

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Available files

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