Vitas-M small molecule compound
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-[(3-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
Catalog ID
STL399653
SMILES [O-][N+](=O)c1cccc(c1)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 C23H22ClN5O3S MW 483.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5O3S/c1-15-21(24)16(2)28(26-15)12-6-11-27-22(30)19-9-3-4-10-20(19)25-23(27)33-14-17-7-5-8-18(13-17)29(31)32/h3-5,7-10,13H,6,11-12,14H2,1-2H3InChIKey
QKADQNLYXHKYQJ-UHFFFAOYSA-NSynonyms
1005615-93-9(O)(N+)(=O)c1cccc(c1)CSc1nc2ccccc2c(=O)n1CCCn1nc(c(c1C)Cl)C
1005615939
3(3(4CHLORO35DIMETHYL1HPYRAZOL1YL)PROPYL)2((3NITROBENZYL)SULFANYL)QUINAZOLIN4(3H)ONE
3(3(4chloro35dimethylpyrazol1yl)propyl)2((3nitrophenyl)methylsulfanyl)quinazolin4one
CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)(N+)(=O)(O))C)Cl
InChI=1SC23H22ClN5O3Sc11521(24)16(2)28(2615)126112722(30)199341020(19)2523(27)33141775818(1317)29(31)32h3571013H6111214H212H3
MFCD05667720
ZINC000022741363
ZINC22741363
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