Vitas-M small molecule compound

(8xi,14xi,17alpha,19E)-19-{[2-(4-fluorophenyl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide

Catalog ID
STL527486
SMILES OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CC[C@H]2C1=CC(=O)OC1)C)/C=N/CCc1ccc(cc1)F

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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 C31H40FNO5 MW 525.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40FNO5/c1-28-11-7-25-26(31(28,37)14-9-24(28)21-16-27(35)38-18-21)8-13-30(36)17-23(34)6-12-29(25,30)19-33-15-10-20-2-4-22(32)5-3-20/h2-5,16,19,23-26,34,36-37H,6-15,17-18H2,1H3/b33-19+/t23?,24-,25-,26?,28+,29-,30?,31?/m0/s1
InChIKey
GIMYQAYEDROUKU-BMDBHBMTSA-N
Synonyms

(8xi14xi17alpha19E)19((2(4fluorophenyl)ethyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((4fluorophenethyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC31H40FNO5c1281172526(31(2837)14924(28)211627(35)381821)81330(36)1723(34)61229(2530)19331510202422(32)5320h2516192326343637H6151718H21H3b3319+t23?242526?28+2930?31?m0s1
MFCD03661448
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=NCCc1ccc(cc1)F
ZINC000254839704
ZINC000257360771

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Available files

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