Vitas-M small molecule compound
2-[({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STK230281
SMILES C=CCn1c(nnc1COc1ccc(cc1C)C)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 C23H23N5O2S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2S/c1-4-11-28-21(13-30-19-10-9-15(2)12-16(19)3)26-27-23(28)31-14-20-24-18-8-6-5-7-17(18)22(29)25-20/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,25,29)InChIKey
XAFXBLNHRPKJCW-UHFFFAOYSA-NSynonyms
2(((5((24DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2((5((24DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
C=CCn1c(nnc1COc1ccc(cc1C)C)SCc1nc2ccccc2c(=O)(nH)1
CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3)C
InChI=1SC23H23N5O2Sc14112821(13301910915(2)1216(19)3)262723(28)3114202418865717(18)22(29)2520h41012H1111314H223H3(H242529)
MFCD07789642
ZINC000009262751
ZINC09262751
ZINC9262751
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