Vitas-M small molecule compound

2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin

Catalog ID
STK530952
SMILES CCCCC1=C(C)/C/2=C/c3[nH]c(c(c3C)CCCC)/C=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CCCC)c4C)C(=C3CCCC)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 C40H54N4 MW 590.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H54N4/c1-9-13-17-29-25(5)33-21-34-27(7)31(19-15-11-3)39(43-34)24-40-32(20-16-12-4)28(8)36(44-40)22-35-26(6)30(18-14-10-2)38(42-35)23-37(29)41-33/h21-24,41,44H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-22-,37-23-,38-23-,39-24-,40-24-
InChIKey
KBNWAXJWLDRWQP-QAOILRMHSA-N
Synonyms

281218tetrabutyl371317tetramethylporphyrin
4101420tetrabutyl591519tetramethyl21222324tetraazapentacyclo(16211^(36)1^(811)1^(1316))tetracosa1357911(23)12141618(21)19undecaene
CCCCC1=C(C)C2=Cc3(nH)c(c(c3C)CCCC)C=C3N=C(C=c4(nH)c(=CC1=N2)c(CCCC)c4C)C(=C3CCCC)C
MFCD00999976
ZINC000102408834

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Available files

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