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

Catalog ID
STL541736
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCN(CC2)C/C=C/c2ccccc2)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 C37H44N4O6 MW 640.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O6/c1-24(37(44)41-20-18-40(19-21-41)17-9-12-26-10-7-6-8-11-26)38-31-16-14-28-29(23-32(31)43)30(39-25(2)42)15-13-27-22-33(45-3)35(46-4)36(47-5)34(27)28/h6-12,14,16,22-24,30H,13,15,17-21H2,1-5H3,(H,38,43)(H,39,42)/b12-9+/t24-,30-/m0/s1
InChIKey
KVALKUOKWPNZOQ-ODXYHCAUSA-N
Synonyms

~(N)((7~(S))123trimethoxy9oxo10(((2~(S))1oxo1(4((~(E))3phenylprop2enyl)piperazin1yl)propan2yl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
75492079
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCN(CC2)CC=Cc2ccccc2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H44N4O6c124(37(44)41201840(192141)1791226107681126)383116142829(2332(31)43)30(3925(2)42)1513272233(453)35(464)36(475)34(27)28h6121416222430H13151721H215H3(H3843)(H3942)b129+t2430m0s1
N((7S)123trimethoxy9oxo10(((2S)1oxo1(4((2E)3phenylprop2en1yl)piperazin1yl)propan2yl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4cinnamylpiperazin1yl)1oxopropan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108450239
ZINC108450239

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Available files

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