Vitas-M small molecule compound

ethyl 1-{3-[(3-tert-butyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-4-carboxylate

Catalog ID
STK553690
SMILES CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)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 C35H39N3O5 MW 581.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N3O5/c1-5-42-34(41)21-13-17-38(18-14-21)16-8-15-36-26-20-28-31(37-25-12-11-22(35(2,3)4)19-27(25)43-28)30-29(26)32(39)23-9-6-7-10-24(23)33(30)40/h6-7,9-12,19-21,36-37H,5,8,13-18H2,1-4H3
InChIKey
CKIWPPMEEWBTAA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cc(ccc3(nH)c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C
CCOC(=O)C1CCN(CC1)CCCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)NC6=C(O3)C=C(C=C6)C(C)(C)C
ethyl1(3((3(tertbutyl)813dioxo1314dihydro8Hnaphtho(23a)phenoxazin7yl)amino)propyl)piperidine4carboxylate
ethyl1(3((3tertbutyl813dioxo1314dihydro8Hnaphtho(23a)phenoxazin7yl)amino)propyl)piperidine4carboxylate
ETHYL1(3((3TERTBUTYL813DIOXO14HNAPHTHO(23A)PHENOXAZIN7YL)AMINO)PROPYL)PIPERIDINE4CARBOXYLATE
InChI=1SC35H39N3O5c154234(41)21131738(181421)168153626202831(3725121122(35(23)4)1927(25)4328)3029(26)32(39)239671024(23)33(30)40h6791219213637H581318H214H3
MFCD04004602
ZINC000102466235

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Available files

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