Vitas-M small molecule compound

{4-[(2E)-(1-{(2S,4S)-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}ethylidene)hydrazinylidene]-2,2,6,6-tetramethylpiperidin-1-yl}oxidanyl hydrochloride

Catalog ID
STL525297
SMILES COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4CC(N)[C@H](C(O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/N=C1CC(C)(C)N(C(C1)(C)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 C36H45N4O10 MW 693.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-46H,11-15,37H2,1-7H3/b38-17+/t16?,21?,23-,24
InChIKey
ARINLTOTRWAKHM-JSDGGVJHSA-N
Synonyms

(4((2E)(1((2S4S)4((3amino236trideoxybDribohexopyranosyl)oxy)2512trihydroxy7methoxy611dioxo1234611hexahydrotetracen2yl)ethylidene)hydrazinylidene)2266tetramethylpiperidin1yl)oxidanylhydrochloride(11)
(7~(S)9~(S))7((2~(R)5~(S))4amino5hydroxy6methyloxan2yl)oxy6911trihydroxy9((~(E))~(N)((1$l^(1)oxidanyl2266tetramethylpiperidin4ylidene)amino)~(C)methylcarbonimidoyl)4methoxy810dihydro7~(H)tetracene512dione
25087792
COc1cccc2c1C(=O)c1c(O)c3(C@@H)(O(C@H)4CC(N)(C@@H)(C(O4)C)O)C(C@)(Cc3c(c1C2=O)O)(O)C(=NN=C1CC(C)(C)N(C(C1)(C)C)(O))CCl
InChI=1SC36H45N4O10c11629(41)21(37)1124(4916)50231536(4617(2)3839181234(34)40(47)35(56)1318)142026(23)33(45)2827(31(20)43)30(42)19981022(487)25(19)32(28)44h810162123242941434546H111537H217H3b3817+t16?21?232429+36m0s1
MFCD32649798
ZINC000150347883
ZINC000150347889

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Available files

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