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-5-carboxylate
Catalog ID
STL393751
SMILES COC(=O)c1ccnn1CSc1nc2ccccc2c(=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)28(26-14)12-6-11-27-20(30)16-7-4-5-8-17(16)25-22(27)33-13-29-18(9-10-24-29)21(31)32-3/h4-5,7-10H,6,11-13H2,1-3H3InChIKey
BTDSCMUPSKQTBY-UHFFFAOYSA-NSynonyms
1005595-87-81005595878
CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C(=CC=N4)C(=O)OC)C)Cl
InChI=1SC22H23ClN6O3Sc11419(23)15(2)28(2614)126112720(30)16745817(16)2522(27)33132918(9102429)21(31)323h45710H61113H213H3
METHYL1(((3(3(4CHLORO35DIMETHYL1HPYRAZOL1YL)PROPYL)4OXO34DIHYDROQUINAZOLIN2YL)SULFANYL)METHYL)1HPYRAZOLE5CARBOXYLATE
methyl2((3(3(4chloro35dimethylpyrazol1yl)propyl)4oxoquinazolin2yl)sulfanylmethyl)pyrazole3carboxylate
MFCD06195772
ZINC000002741213
ZINC02741213
ZINC2741213
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