Vitas-M small molecule compound
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STK230282
SMILES Cc1ccc(c(c1)OCc1nnc(n1C)SCc1nc2ccccc2c(=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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-13-8-9-14(2)17(10-13)28-11-19-24-25-21(26(19)3)29-12-18-22-16-7-5-4-6-15(16)20(27)23-18/h4-10H,11-12H2,1-3H3,(H,22,23,27)InChIKey
BEVGZVVISJTIRH-UHFFFAOYSA-NSynonyms
2(((5((25DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((5((25DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3
Cc1ccc(c(c1)OCc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1)C
InChI=1SC21H21N5O2Sc1138914(2)17(1013)281119242521(26(19)3)2912182216754615(16)20(27)2318h410H1112H213H3(H222327)
MFCD07789644
ZINC000004735916
ZINC04735916
ZINC4735916
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