Vitas-M small molecule compound

3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one

Catalog ID
STL398953
SMILES Cc1nn(c(c1)C)CCCn1c(SCn2ccc(n2)[N+](=O)[O-])nc2c(c1=O)cccc2

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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 C20H21N7O3S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O3S/c1-14-12-15(2)26(22-14)10-5-9-25-19(28)16-6-3-4-7-17(16)21-20(25)31-13-24-11-8-18(23-24)27(29)30/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3
InChIKey
JTUFPGMUFSZSCN-UHFFFAOYSA-N
Synonyms
1005643-24-2
1005643242
3(3(35DIMETHYL1HPYRAZOL1YL)PROPYL)2(((3NITRO1HPYRAZOL1YL)METHYL)SULFANYL)QUINAZOLIN4(3H)ONE
3(3(35dimethylpyrazol1yl)propyl)2((3nitropyrazol1yl)methylsulfanyl)quinazolin4one
3(3(35DIMETHYLPYRAZOLYL)PROPYL)2((3NITROPYRAZOLYL)METHYLTHIO)3HYDROQUINAZOLIN4ONE
CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)(N+)(=O)(O))C
Cc1nn(c(c1)C)CCCn1c(SCn2ccc(n2)(N+)(=O)(O))nc2c(c1=O)cccc2
InChI=1SC20H21N7O3Sc1141215(2)26(2214)10592519(28)16634717(16)2120(25)31132411818(2324)27(29)30h34681112H591013H212H3
MFCD05667615
ZINC000002733622
ZINC02733622
ZINC2733622

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Available files

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