Vitas-M small molecule compound

N,N,N',N',N'',N'',N''',N'''-octaethyl-1,21,23,25-tetrahexyl-1H,21H,23H,25H-19,3:20,2-di(metheno)[1,3,2]benzodioxaphosphocino[9',8':4,5][1,3,2]benzodioxaphosphocino[9,8-d][1,3,2]dioxaphosphocino[5,4-i][1,3,2]benzodioxaphosphocine-5,9,13,17-tetramine

Catalog ID
STL059056
SMILES CCCCCCC1c2cc3c4cc2OP(Oc2c1cc1c(c2)OP(Oc2c(C1CCCCCC)cc1C(c5cc(C3CCCCCC)c(OP(O4)N(CC)CC)cc5OP(Oc1c2)N(CC)CC)CCCCCC)N(CC)CC)N(CC)CC

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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 C68H104N4O8P4 MW 1229.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C68H104N4O8P4/c1-13-25-29-33-37-49-53-41-55-50(38-34-30-26-14-2)57-43-59-52(40-36-32-28-16-4)60-44-58-51(39-35-31-27-15-3)56-42-54(49)62-46-64(56)76-83(71(21-9)22-10)78-66(58)48-68(60)80-84(72(23-11)24-12)79-67(59)47-65(57)77-82(70(19-7)20-8)75-6
InChIKey
SNFHCGWWNOUWIM-UHFFFAOYSA-N
Synonyms

CCCCCCC1C2=CC3=C4C=C2OP(OC5=CC6=C(C=C15)C(C7=CC8=C(C=C7OP(O6)N(CC)CC)OP(OC9=C(C8CCCCCC)C=C(C3CCCCCC)C(=C9)OP(O4)N(CC)CC)N(CC)CC)CCCCCC)N(CC)CC
InChI=1SC68H104N4O8P4c113252933374953415550(38343026142)57435952(40363228164)60445851(39353127153)564254(49)624664(56)7683(71(219)2210)7866(58)4868(60)8084(72(2311)2412)7967(59)4765(57)7782(70(197)208)7563(55)4561(53)7381(7462)69(175)186h4152H1340H21
MFCD01874838
NNNNNNNNoctaethyl1212325tetrahexyl1H21H23H25H193202di(metheno)(132)benzodioxaphosphocino(9845)(132)benzodioxaphosphocino(98d)(132)dioxaphosphocino(54i)

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Available files

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