Vitas-M small molecule compound

(4Z)-5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK202634
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1ccc2c(c1)COC2=O)c1nnn[nH]1

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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 C18H12N6O4 MW 376.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N6O4/c1-9-14(16(25)24(21-9)18-19-22-23-20-18)7-12-3-5-15(28-12)10-2-4-13-11(6-10)8-27-17(13)26/h2-7H,8H2,1H3,(H,19,20,22,23)/b14-7-
InChIKey
VSYUXSIYJZANAE-AUWJEWJLSA-N
Synonyms

(4Z)5methyl4((5(1oxo13dihydro2benzofuran5yl)furan2yl)methylidene)2(1Htetrazol5yl)24dihydro3Hpyrazol3one
(4Z)5METHYL4((5(1OXO3H2BENZOFURAN5YL)FURAN2YL)METHYLIDENE)2(2HTETRAZOL5YL)PYRAZOL3ONE
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc2c(c1)COC2=O)c1nnn(nH)1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC4=C(C=C3)C(=O)OC4)C5=NNN=N5
InChI=1SC18H12N6O4c1914(16(25)24(219)181922232018)7123515(2812)10241311(610)82717(13)26h27H8H21H3(H19202223)b147
MFCD07433609
ZINC000012406195
ZINC12406195

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Available files

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