Vitas-M small molecule compound
4-methoxy-N-[(4-methyl-5-{[1-(4-oxo-3,4-dihydroquinazolin-2-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK231248
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SC(c1nc2ccccc2c(=O)[nH]1)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 C22H22N6O3S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3S/c1-13(19-24-17-7-5-4-6-16(17)21(30)25-19)32-22-27-26-18(28(22)2)12-23-20(29)14-8-10-15(31-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,23,29)(H,24,25,30)InChIKey
VAXOBAVNKSNRMB-UHFFFAOYSA-NSynonyms
4methoxyN((4methyl5((1(4oxo34dihydroquinazolin2yl)ethyl)sulfanyl)4H124triazol3yl)methyl)benzamide
4METHOXYN((4METHYL5(1(4OXO1HQUINAZOLIN2YL)ETHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)CNC(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)NCc1nnc(n1C)SC(c1nc2ccccc2c(=O)(nH)1)C
InChI=1SC22H22N6O3Sc113(192417754616(17)21(30)2519)3222272618(28(22)2)122320(29)1481015(313)11914h41113H12H213H3(H2329)(H242530)
MFCD07792041
ZINC000009304211
ZINC000009304214
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