Vitas-M small molecule compound

3,4-dimethoxy-6-{6-oxo-6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]hexyl}-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione

Catalog ID
STL551509
SMILES COc1ccc2c(c1OC)c(=O)n(c1c2C(=O)c2c1cccc2)CCCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C35H35N3O6 MW 593.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O6/c1-43-27-15-14-25-30-32(23-9-5-6-10-24(23)33(30)41)37(35(42)31(25)34(27)44-2)16-7-3-4-12-28(39)36-18-21-17-22(20-36)26-11-8-13-29(40)38(26)19-21/h5-6,8-11,13-15,21-22H,3-4,7,12,16-20H2,1-2H3/t21-,22+/m1/s1
InChIKey
YUNSQXOOETXBPF-YADHBBJMSA-N
Synonyms

127253246
34dimethoxy6(6oxo6((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)hexyl)indeno(12c)isoquinoline511dione
34dimethoxy6(6oxo6((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)hexyl)5Hindeno(12c)isoquinoline511(6H)dione
34dimethoxy6(6oxo6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)hexyl)5Hindeno(12c)isoquinoline511(6H)dione
COc1ccc2c(c1OC)c(=O)n(c1c2C(=O)c2c1cccc2)CCCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC35H35N3O6c143271514253032(239561024(23)33(30)41)37(35(42)31(25)34(27)442)167341228(39)3618211722(2036)261181329(40)38(26)1921h5681113152122H347121620H212H3t2122+m1s1
ZINC000604406200
ZINC604406200

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Available files

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