Vitas-M small molecule compound
N-[1-(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Catalog ID
STK219222
SMILES 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 C22H21FN6O2S MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN6O2S/c1-3-29-19(13(2)24-20(30)14-8-4-6-10-16(14)23)27-28-22(29)32-12-18-25-17-11-7-5-9-15(17)21(31)26-18/h4-11,13H,3,12H2,1-2H3,(H,24,30)(H,25,26,31)InChIKey
JWOUTAWQJNWBNS-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C(C)NC(=O)C4=CC=CC=C4F
CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1C(NC(=O)c1ccccc1F)C
InChI=1SC22H21FN6O2Sc132919(13(2)2420(30)148461016(14)23)272822(29)32121825171175915(17)21(31)2618h41113H312H212H3(H2430)(H252631)
MFCD06007378
N(1(4ETHYL5(((4OXO34DIHYDRO2QUINAZOLINYL)METHYL)THIO)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(4ETHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(4ETHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000018219741
ZINC000018219743
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