Vitas-M small molecule compound
2-[({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STK197842
SMILES Clc1ccc(c(c1)Cl)OCCCc1nnc(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 C21H19Cl2N5O2S MW 476.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N5O2S/c1-28-19(7-4-10-30-17-9-8-13(22)11-15(17)23)26-27-21(28)31-12-18-24-16-6-3-2-5-14(16)20(29)25-18/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,25,29)InChIKey
RPOAHGXWJAKFHH-UHFFFAOYSA-NSynonyms
2(((5(3(24DICHLOROPHENOXY)PROPYL)4METHYL4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((5(3(24DICHLOROPHENOXY)PROPYL)4METHYL124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
Clc1ccc(c(c1)Cl)OCCCc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1
CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCCOC4=C(C=C(C=C4)Cl)Cl
InChI=1SC21H19Cl2N5O2Sc12819(741030179813(22)1115(17)23)262721(28)3112182416632514(16)20(29)2518h23568911H471012H21H3(H242529)
MFCD06629781
ZINC000006456678
ZINC06456678
ZINC6456678
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