Vitas-M small molecule compound
N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK245769
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)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 C22H20N6O4S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O4S/c1-2-28-19(10-23-20(29)13-7-8-16-17(9-13)32-12-31-16)26-27-22(28)33-11-18-24-15-6-4-3-5-14(15)21(30)25-18/h3-9H,2,10-12H2,1H3,(H,23,29)(H,24,25,30)InChIKey
FUHKUWBZXFLWFV-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5(4OXO34DIHYDROQUINAZOLIN2YLMETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC5=C(C=C4)OCO5
CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC22H20N6O4Sc122819(102320(29)13781617(913)32123116)262722(28)3311182415643514(15)21(30)2518h39H21012H21H3(H2329)(H242530)
MFCD08670484
N((4ETHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ethyl5((4oxo1Hquinazolin2yl)methylsulfanyl)124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328060
ZINC09328060
ZINC9328060
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