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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-[3-(1H-indol-1-yl)propyl]-L-valinamide

Catalog ID
STL549071
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCCn2ccc3c2cccc3)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 C37H44N4O6 MW 640.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O6/c1-22(2)34(37(44)38-17-9-18-41-19-16-24-10-7-8-11-30(24)41)40-29-15-13-26-27(21-31(29)43)28(39-23(3)42)14-12-25-20-32(45-4)35(46-5)36(47-6)33(25)26/h7-8,10-11,13,15-16,19-22,28,34H,9,12,14,17-18H2,1-6H3,(H,38,44)(H,39,42)(H,40,43)/t28-
InChIKey
BBUGXKQTWURECU-GVYVVWIYSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3indol1ylpropyl)3methylbutanamide
(S)N(3(1Hindol1yl)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
110206199
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCCn2ccc3c2cccc3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H44N4O6c122(2)34(37(44)38179184119162410781130(24)41)402915132627(2131(29)43)28(3923(3)42)1412252032(454)35(465)36(476)33(25)26h78101113151619222834H912141718H216H3(H3844)(H3942)(H4043)t2834m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(1Hindol1yl)propyl)Lvalinamide
ZINC000253396402
ZINC253396402

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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