Vitas-M small molecule compound
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
Catalog ID
STL391983
SMILES O=C(c1cccc(c1)Cn1nc(c(c1C)Cl)C)Nn1c(S)nc2c(c1=O)cccc2
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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 C21H18ClN5O2S MW 439.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O2S/c1-12-18(22)13(2)26(24-12)11-14-6-5-7-15(10-14)19(28)25-27-20(29)16-8-3-4-9-17(16)23-21(27)30/h3-10H,11H2,1-2H3,(H,23,30)(H,25,28)InChIKey
XAXPLZCVHGCWOJ-UHFFFAOYSA-NSynonyms
1005590-36-21005590362
3((4chloro35dimethyl1Hpyrazol1yl)methyl)N(4oxo2sulfanylquinazolin3(4H)yl)benzamide
3((4chloro35dimethylpyrazol1yl)methyl)N(4oxo2sulfanylidene1Hquinazolin3yl)benzamide
CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NN3C(=O)C4=CC=CC=C4NC3=S)C)Cl
InChI=1SC21H18ClN5O2Sc11218(22)13(2)26(2412)111465715(1014)19(28)252720(29)16834917(16)2321(27)30h310H11H212H3(H2330)(H2528)
MFCD04130728
ZINC000101606107
ZINC101606107
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