Vitas-M small molecule compound

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

Catalog ID
STL541331
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)N2CCN(CC2)c2ccccn2)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 C32H37N5O6 MW 587.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N5O6/c1-20(38)35-24-10-8-21-17-27(41-2)31(42-3)32(43-4)30(21)22-9-11-25(26(39)18-23(22)24)34-19-29(40)37-15-13-36(14-16-37)28-7-5-6-12-33-28/h5-7,9,11-12,17-18,24H,8,10,13-16,19H2,1-4H3,(H,34,39)(H,35,38)/t24-/m0/s1
InChIKey
ZNZCDYXJNHLMCX-DEOSSOPVSA-N
Synonyms
1574390-89-8
(S)N(123trimethoxy9oxo10((2oxo2(4(pyridin2yl)piperazin1yl)ethyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((2oxo2(4pyridin2ylpiperazin1yl)ethyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574390898
75492043
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)N2CCN(CC2)c2ccccn2)NC(=O)C)cc(c1OC)OC
InChI=1SC32H37N5O6c120(38)3524108211727(412)31(423)32(434)30(21)2291125(26(39)1823(22)24)341929(40)37151336(141637)28756123328h5791112171824H810131619H214H3(H3439)(H3538)t24m0s1
N((7S)123trimethoxy9oxo10((2oxo2(4(pyridin2yl)piperazin1yl)ethyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108450170
ZINC108450170

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Available files

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