Vitas-M small molecule compound
N-[2-(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Catalog ID
STK218626
SMILES CCn1c(CCNC(=O)c2ccccc2F)nnc1SCc1nc2ccccc2c(=O)[nH]1
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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/c1-2-29-19(11-12-24-20(30)14-7-3-5-9-16(14)23)27-28-22(29)32-13-18-25-17-10-6-4-8-15(17)21(31)26-18/h3-10H,2,11-13H2,1H3,(H,24,30)(H,25,26,31)InChIKey
WJMNVHWUILRXLF-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCNC(=O)C4=CC=CC=C4F
CCn1c(CCNC(=O)c2ccccc2F)nnc1SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC22H21FN6O2Sc122919(11122420(30)14735916(14)23)272822(29)32131825171064815(17)21(31)2618h310H21113H21H3(H2430)(H252631)
MFCD07189167
N(2(4ETHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(4ETHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009263183
ZINC09263183
ZINC9263183
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