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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-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)butanamide

Catalog ID
STL541555
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCC2CC3CC2C=C3)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 C33H41N3O6 MW 575.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O6/c1-19(37)36-26-11-9-22-16-29(40-2)32(41-3)33(42-4)31(22)24-10-12-27(28(38)17-25(24)26)34-13-5-6-30(39)35-18-23-15-20-7-8-21(23)14-20/h7-8,10,12,16-17,20-21,23,26H,5-6,9,11,13-15,18H2,1-4H3,(H,34,38)(H,35,39)(H,36,37)/t20?,21?,23?,26-/m
InChIKey
JTNCBWDIBFPPKD-AENDBOESSA-N
Synonyms
1574252-78-0
1574252780
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2bicyclo(221)hept5enylmethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(bicyclo(221)hept5en2ylmethyl)butanamide
4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2R)bicyclo(221)hept5en2ylmethyl)butanamide
75491985
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NCC2CC3CC2C=C3)NC(=O)C)cc(c1OC)OC
InChI=1SC33H41N3O6c119(37)3626119221629(402)32(413)33(424)31(22)24101227(28(38)1725(24)26)34135630(39)35182315207821(23)1420h781012161720212326H56911131518H214H3(H3438)(H3539)(H3637)t20?21?23?26m0s1
ZINC000108450012
ZINC000108450014

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Available files

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