Vitas-M small molecule compound

(5S)-5-((9S,10R,13R,17R)-10-((E)-(dodecylimino)methyl)-3,5,14-trihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one

Catalog ID
STL525352
SMILES CCCCCCCCCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1C=CC(=O)O1)C)O

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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 C35H57NO5 MW 571.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H57NO5/c1-3-4-5-6-7-8-9-10-11-12-23-36-25-33-20-15-26(37)24-34(33,39)21-17-28-27(33)16-19-32(2)29(18-22-35(28,32)40)30-13-14-31(38)41-30/h13-14,25-30,37,39-40H,3-12,15-24H2,1-2H3/b36-25+/t26?,27-,28?,29-,30?,32+,33-,34?,35?/m0/s1
InChIKey
FQJYFXFWPUOPTA-SPTRMIEQSA-N
Synonyms

(5S)5((9S10R13R17R)10((E)(dodecylimino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
CCCCCCCCCCCCN=C(C@@)12CCC(CC2(O)CCC2(C@@H)1CC(C@)1(C2(O)CC(C@H)1C1C=CC(=O)O1)C)O
InChI=1SC35H57NO5c1345678910111223362533201526(37)2434(3339)21172827(33)161932(2)29(182235(2832)40)30131431(38)4130h13142530373940H3121524H212H3b3625+t26?2728?2930?32+3334?35?m0s1
MFCD32649799
ZINC000070669811
ZINC000253502173

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Available files

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