Vitas-M small molecule compound
methyl 1-[({3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
Catalog ID
STK314472
SMILES COC(=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 C22H23ClN6O3S MW 486.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN6O3S/c1-14-19(23)15(2)29(25-14)11-6-10-28-20(30)16-7-4-5-8-17(16)24-22(28)33-13-27-12-9-18(26-27)21(31)32-3/h4-5,7-9,12H,6,10-11,13H2,1-3H3InChIKey
IAIXDVGLWDVMIO-UHFFFAOYSA-NSynonyms
1005637-94-41005637944
CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)C(=O)OC)C)Cl
InChI=1SC22H23ClN6O3Sc11419(23)15(2)29(2514)116102820(30)16745817(16)2422(28)33132712918(2627)21(31)323h457912H6101113H213H3
methyl1(((3(3(4chloro35dimethyl1Hpyrazol1yl)propyl)4oxo34dihydroquinazolin2yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((3(3(4chloro35dimethylpyrazol1yl)propyl)4oxoquinazolin2yl)sulfanylmethyl)pyrazole3carboxylate
MFCD06195649
ZINC000002741043
ZINC02741043
ZINC2741043
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