Vitas-M small molecule compound
3-methyl-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
STL122477
SMILES Cc1cccc(c1)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 C22H22N6O2S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S/c1-13-7-6-8-15(11-13)20(29)23-12-18-26-27-22(28(18)3)31-14(2)19-24-17-10-5-4-9-16(17)21(30)25-19/h4-11,14H,12H2,1-3H3,(H,23,29)(H,24,25,30)InChIKey
NDRIUQBRSNMVHR-UHFFFAOYSA-NSynonyms
3methylN((4methyl5((1(4oxo34dihydroquinazolin2yl)ethyl)sulfanyl)4H124triazol3yl)methyl)benzamide
3methylN((4methyl5(1(4oxo1Hquinazolin2yl)ethylsulfanyl)124triazol3yl)methyl)benzamide
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SC(C)C3=NC(=O)C4=CC=CC=C4N3
Cc1cccc(c1)C(=O)NCc1nnc(n1C)SC(c1nc2ccccc2c(=O)(nH)1)C
InChI=1SC22H22N6O2Sc11376815(1113)20(29)231218262722(28(18)3)3114(2)1924171054916(17)21(30)2519h41114H12H213H3(H2329)(H242530)
MFCD17010912
ZINC000008784430
ZINC000008784431
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