Vitas-M small molecule compound

(4aR)-5,7-dihydroxy-8-{(1E)-N-[2-(4-methoxyphenyl)ethyl]ethanimidoyl}-3,4a,6-trimethyl-1-phenyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one

Catalog ID
STL551907
SMILES COc1ccc(cc1)CC/N=C(/c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccccc1)C)O)\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 C33H31N3O5 MW 549.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O5/c1-18-29(37)27(19(2)34-16-15-21-11-13-23(40-5)14-12-21)31-28(30(18)38)33(4)25(41-31)17-24-26(32(33)39)20(3)35-36(24)22-9-7-6-8-10-22/h6-14,17,37-38H,15-16H2,1-5H3/b34-19+/t33-/m0/s1
InChIKey
XMEHMIFBZRMRAO-RPERFGLASA-N
Synonyms

(4aR)57dihydroxy8((1E)N(2(4methoxyphenyl)ethyl)ethanimidoyl)34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
(RE)57dihydroxy8(1((4methoxyphenethyl)imino)ethyl)34a6trimethyl1phenyl1Hbenzofuro(32f)indazol4(4aH)one
COc1ccc(cc1)CCN=C(c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)(C@)21C)c(nn3c1ccccc1)C)O)C
InChI=1SC33H31N3O5c11829(37)27(19(2)34161521111323(405)141221)3128(30(18)38)33(4)25(4131)172426(32(33)39)20(3)3536(24)2297681022h614173738H1516H215H3b3419+t33m0s1
ZINC000824662000

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Available files

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