Vitas-M small molecule compound
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Catalog ID
STK314470
SMILES [O-][N+](=O)c1ccn(n1)CSc1nc2ccccc2c(=O)n1CCCn1nc(c(c1C)Cl)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 C20H20ClN7O3S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN7O3S/c1-13-18(21)14(2)27(23-13)10-5-9-26-19(29)15-6-3-4-7-16(15)22-20(26)32-12-25-11-8-17(24-25)28(30)31/h3-4,6-8,11H,5,9-10,12H2,1-2H3InChIKey
GWCDQVRLPOCLDQ-UHFFFAOYSA-NSynonyms
1005673-25-5(O)(N+)(=O)c1ccn(n1)CSc1nc2ccccc2c(=O)n1CCCn1nc(c(c1C)Cl)C
1005673255
3(3(4chloro35dimethyl1Hpyrazol1yl)propyl)2(((3nitro1Hpyrazol1yl)methyl)sulfanyl)quinazolin4(3H)one
3(3(4chloro35dimethylpyrazol1yl)propyl)2((3nitropyrazol1yl)methylsulfanyl)quinazolin4one
CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)(N+)(=O)(O))C)Cl
InChI=1SC20H20ClN7O3Sc11318(21)14(2)27(2313)10592619(29)15634716(15)2220(26)32122511817(2425)28(30)31h346811H591012H212H3
MFCD06195644
ZINC000002741036
ZINC02741036
ZINC2741036
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