Vitas-M small molecule compound
3-methyl-N-{[5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK186950
SMILES C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1CNC(=O)c1cccc(c1)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 C23H22N6O2S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O2S/c1-3-11-29-20(13-24-21(30)16-8-6-7-15(2)12-16)27-28-23(29)32-14-19-25-18-10-5-4-9-17(18)22(31)26-19/h3-10,12H,1,11,13-14H2,2H3,(H,24,30)(H,25,26,31)InChIKey
KWSPFHDBAYVZED-UHFFFAOYSA-NSynonyms
3METHYLN((5(((4OXO14DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1CNC(=O)c1cccc(c1)C
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3
InChI=1SC23H22N6O2Sc13112920(132421(30)1686715(2)1216)272823(29)32141925181054917(18)22(31)2619h31012H1111314H22H3(H2430)(H252631)
MFCD06005793
ZINC000001058901
ZINC01058901
ZINC1058901
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