Vitas-M small molecule compound
2-[1-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethyl]quinazolin-4(3H)-one
Catalog ID
STK231182
SMILES Cc1ccccc1OCc1nnc(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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-13-8-4-7-11-17(13)28-12-18-24-25-21(26(18)3)29-14(2)19-22-16-10-6-5-9-15(16)20(27)23-19/h4-11,14H,12H2,1-3H3,(H,22,23,27)InChIKey
MVSCDWPJQJYSPS-UHFFFAOYSA-NSynonyms
2(1((4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ETHYL)1HQUINAZOLIN4ONE
2(1((4methyl5((2methylphenoxy)methyl)4H124triazol3yl)sulfanyl)ethyl)quinazolin4(3H)one
CC1=CC=CC=C1OCC2=NN=C(N2C)SC(C)C3=NC(=O)C4=CC=CC=C4N3
Cc1ccccc1OCc1nnc(n1C)SC(c1nc2ccccc2c(=O)(nH)1)C
InChI=1SC21H21N5O2Sc1138471117(13)281218242521(26(18)3)2914(2)1922161065915(16)20(27)2319h41114H12H213H3(H222327)
MFCD07792046
ZINC000004736525
ZINC000004736526
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