Vitas-M small molecule compound
3-methyl-N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK218564
SMILES Cc1cccc(c1)C(=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 C21H20N6O2S MW 420.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2S/c1-13-6-5-7-14(10-13)19(28)22-11-18-25-26-21(27(18)2)30-12-17-23-16-9-4-3-8-15(16)20(29)24-17/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,24,29)InChIKey
XHDIEMFPEFMSQQ-UHFFFAOYSA-NSynonyms
3METHYLN((4METHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((4METHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3
Cc1cccc(c1)C(=O)NCc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC21H20N6O2Sc11365714(1013)19(28)221118252621(27(18)2)3012172316943815(16)20(29)2417h310H1112H212H3(H2228)(H232429)
MFCD07189180
ZINC000009262747
ZINC09262747
ZINC9262747
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