Vitas-M small molecule compound
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-[(3-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
Catalog ID
STK314290
SMILES [O-][N+](=O)c1cccc(c1)CSc1nc2ccccc2c(=O)n1CCCn1cc(c(n1)C)Cl
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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 C22H20ClN5O3S MW 469.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O3S/c1-15-19(23)13-26(25-15)10-5-11-27-21(29)18-8-2-3-9-20(18)24-22(27)32-14-16-6-4-7-17(12-16)28(30)31/h2-4,6-9,12-13H,5,10-11,14H2,1H3InChIKey
KGSROYGZUXVRPV-UHFFFAOYSA-NSynonyms
1005672-88-7(O)(N+)(=O)c1cccc(c1)CSc1nc2ccccc2c(=O)n1CCCn1cc(c(n1)C)Cl
1005672887
3(3(4chloro3methyl1Hpyrazol1yl)propyl)2((3nitrobenzyl)sulfanyl)quinazolin4(3H)one
3(3(4chloro3methylpyrazol1yl)propyl)2((3nitrophenyl)methylsulfanyl)quinazolin4one
CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H20ClN5O3Sc11519(23)1326(2515)105112721(29)18823920(18)2422(27)32141664717(1216)28(30)31h24691213H5101114H21H3
MFCD05667635
ZINC000002733645
ZINC02733645
ZINC2733645
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