Vitas-M small molecule compound

N'-[(E)-(4-hydroxyphenyl)methylidene]-4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]benzohydrazide

Catalog ID
STL524855
SMILES COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)O)C)cc2c1OCO2

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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 C27H25N7O5 MW 527.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N7O5/c1-33-12-11-18-13-21-24(39-15-38-21)25(37-2)22(18)23(33)26-29-31-32-34(26)19-7-5-17(6-8-19)27(36)30-28-14-16-3-9-20(35)10-4-16/h3-10,13-14,23,35H,11-12,15H2,1-2H3,(H,30,36)/b28-14+
InChIKey
MMVFUTYXAYAFTO-CCVNUDIWSA-N
Synonyms
400772-26-1
(E)N(4hydroxybenzylidene)4(5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1Htetrazol1yl)benzohydrazide
~(N)((~(E))(4hydroxyphenyl)methylideneamino)4(5(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)tetrazol1yl)benzamide
135400232
4(5(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)TETRAZOL1YL)N((4OXOCYCLOHEXA25DIEN1YLIDENE)METHYL)BENZOHYDRAZIDE
400772261
COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)NN=Cc2ccc(cc2)O)C)cc2c1OCO2
InChI=1SC27H25N7O5c133121118132124(39153821)25(372)22(18)23(33)2629313234(26)197517(6819)27(36)302814163920(35)10416h31013142335H111215H212H3(H3036)b2814+
MFCD02059228
N((E)(4hydroxyphenyl)methylidene)4(5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1Htetrazol1yl)benzohydrazide
ZINC000070680856
ZINC000070680858

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Available files

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