Vitas-M small molecule compound
3-{[5-(2-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6-chloro-4-(2-chlorophenyl)quinolin-2(1H)-one
Catalog ID
STK143439
SMILES C=CCn1c(nnc1c1ccccc1Br)Sc1c(=O)[nH]c2c(c1c1ccccc1Cl)cc(cc2)Cl
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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 C26H17BrCl2N4OS MW 584.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17BrCl2N4OS/c1-2-13-33-24(16-7-3-5-9-19(16)27)31-32-26(33)35-23-22(17-8-4-6-10-20(17)29)18-14-15(28)11-12-21(18)30-25(23)34/h2-12,14H,1,13H2,(H,30,34)InChIKey
MJGZKLATUGCFSE-UHFFFAOYSA-NSynonyms
3((5(2BROMOPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)6CHLORO4(2CHLOROPHENYL)QUINOLIN2(1H)ONE
3((5(2BROMOPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)6CHLORO4(2CHLOROPHENYL)1HQUINOLIN2ONE
C=CCN1C(=NN=C1SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4Cl)C5=CC=CC=C5Br
C=CCn1c(nnc1c1ccccc1Br)Sc1c(=O)(nH)c2c(c1c1ccccc1Cl)cc(cc2)Cl
InChI=1SC26H17BrCl2N4OSc12133324(16735919(16)27)313226(33)352322(178461020(17)29)181415(28)111221(18)3025(23)34h21214H113H2(H3034)
MFCD04056193
ZINC000002782893
ZINC2782893
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