Vitas-M small molecule compound

N,N,N',N',N'',N'',N''',N''',1,21,23,25-dodecaethyl-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
STK529642
SMILES CCC1c2cc3c4cc2OP(Oc2c1cc1c(c2)OP(Oc2c(C1CC)cc1C(c5cc(C3CC)c(OP(O4)N(CC)CC)cc5OP(Oc1c2)N(CC)CC)CC)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 C52H72N4O8P4 MW 1005.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H72N4O8P4/c1-13-33-37-25-39-34(14-2)41-27-43-36(16-4)44-28-42-35(15-3)40-26-38(33)46-30-48(40)60-67(55(21-9)22-10)62-50(42)32-52(44)64-68(56(23-11)24-12)63-51(43)31-49(41)61-66(54(19-7)20-8)59-47(39)29-45(37)57-65(58-46)53(17-5)18-6/h25-36H,13
InChIKey
RZGCEEKHVMVTGA-UHFFFAOYSA-N
Synonyms

CCC1C2=CC3=C4C=C2OP(OC5=CC6=C(C=C15)C(C7=CC8=C(C=C7OP(O6)N(CC)CC)OP(OC9=C(C8CC)C=C(C3CC)C(=C9)OP(O4)N(CC)CC)N(CC)CC)CC)N(CC)CC
InChI=1SC52H72N4O8P4c1133337253934(142)41274336(164)44284235(153)402638(33)463048(40)6067(55(219)2210)6250(42)3252(44)6468(56(2311)2412)6351(43)3149(41)6166(54(197)208)5947(39)2945(37)5765(5846)53(175)186h2536H1324H2112H3
MFCD01087366
NNNNNNNN1212325dodecaethyl1H21H23H25H193202di(metheno)(132)benzodioxaphosphocino(9845)(132)benzodioxaphosphocino(98d)(132)dioxaphosphocino(54i)(132)be
ZINC150410001

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Available files

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