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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-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-L-valinamide

Catalog ID
STL548944
SMILES COc1cc(ccc1n1nc(cc1C)C)NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C38H45N5O7 MW 683.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45N5O7/c1-20(2)35(38(46)40-25-11-15-30(32(18-25)47-6)43-22(4)16-21(3)42-43)41-29-14-12-26-27(19-31(29)45)28(39-23(5)44)13-10-24-17-33(48-7)36(49-8)37(50-9)34(24)26/h11-12,14-20,28,35H,10,13H2,1-9H3,(H,39,44)(H,40,46)(H,41,45)/t28-,35-/m0/s1
InChIKey
UVDUIZKZIIBBNU-WJVKJDHCSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(35dimethylpyrazol1yl)3methoxyphenyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(35dimethyl1Hpyrazol1yl)3methoxyphenyl)3methylbutanamide
110207426
COc1cc(ccc1n1nc(cc1C)C)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H45N5O7c120(2)35(38(46)4025111530(32(1825)476)4322(4)1621(3)4243)412914122627(1931(29)45)28(3923(5)44)1310241733(487)36(498)37(509)34(24)26h111214202835H1013H219H3(H3944)(H4046)(H4145)t2835m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(35dimethyl1Hpyrazol1yl)3methoxyphenyl)Lvalinamide
ZINC000253413456
ZINC253413456

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Available files

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