Vitas-M small molecule compound
2-fluoro-N-{1-[5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK218619
SMILES C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1C(NC(=O)c1ccccc1F)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 C23H21FN6O2S MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN6O2S/c1-3-12-30-20(14(2)25-21(31)15-8-4-6-10-17(15)24)28-29-23(30)33-13-19-26-18-11-7-5-9-16(18)22(32)27-19/h3-11,14H,1,12-13H2,2H3,(H,25,31)(H,26,27,32)InChIKey
CYAPXTDWNLWVHU-UHFFFAOYSA-NSynonyms
2FLUORON(1(5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(1(5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
C=CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1C(NC(=O)c1ccccc1F)C
CC(C1=NN=C(N1CC=C)SCC2=NC(=O)C3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4F
InChI=1SC23H21FN6O2Sc13123020(14(2)2521(31)158461017(15)24)282923(30)33131926181175916(18)22(32)2719h31114H11213H22H3(H2531)(H262732)
MFCD07189163
ZINC000009263145
ZINC000009263147
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