Vitas-M small molecule compound
2-methoxy-N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK230461
SMILES COc1ccccc1C(=O)NCc1nnc(n1C)SCc1nc2ccccc2c(=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 C21H20N6O3S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O3S/c1-27-18(11-22-19(28)14-8-4-6-10-16(14)30-2)25-26-21(27)31-12-17-23-15-9-5-3-7-13(15)20(29)24-17/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,24,29)InChIKey
GZNAYUZGSIXOKN-UHFFFAOYSA-NSynonyms
2METHOXYN((4METHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2METHOXYN((4METHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CC=C4OC
COc1ccccc1C(=O)NCc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC21H20N6O3Sc12718(112219(28)148461016(14)302)252621(27)3112172315953713(15)20(29)2417h310H1112H212H3(H2228)(H232429)
MFCD07791527
ZINC000009263821
ZINC09263821
ZINC9263821
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