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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-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}-L-alaninamide

Catalog ID
STL541602
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCc1nc2c(n1C(C)C)cccc2)C

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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 C35H41N5O6 MW 627.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O6/c1-19(2)40-28-11-9-8-10-26(28)39-31(40)18-36-35(43)20(3)37-27-15-13-23-24(17-29(27)42)25(38-21(4)41)14-12-22-16-30(44-5)33(45-6)34(46-7)32(22)23/h8-11,13,15-17,19-20,25H,12,14,18H2,1-7H3,(H,36,43)(H,37,42)(H,38,41)/t20-,25-/m0/s1
InChIKey
NNUMNGDDLQZWCV-CPJSRVTESA-N
Synonyms
1574397-83-3
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1propan2ylbenzimidazol2yl)methyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1isopropyl1Hbenzo(d)imidazol2yl)methyl)propanamide
1574397833
75492572
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCc1nc2c(n1C(C)C)cccc2)C
InChI=1SC35H41N5O6c119(2)402811981026(28)3931(40)183635(43)20(3)372715132324(1729(27)42)25(3821(4)41)1412221630(445)33(456)34(467)32(22)23h811131517192025H121418H217H3(H3643)(H3742)(H3841)t2025m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1(propan2yl)1Hbenzimidazol2yl)methyl)Lalaninamide
ZINC000108451523
ZINC108451523

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Available files

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