Vitas-M small molecule compound
2-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK245588
SMILES C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1Cc1ccccc1
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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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-2-11-23-19(12-15-7-4-3-5-8-15)21-22-20(23)28-14-18(25)16-9-6-10-17(13-16)24(26)27/h2-10,13H,1,11-12,14H2InChIKey
CBTRSLOBTMRHQT-UHFFFAOYSA-NSynonyms
2((5BENZYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5BENZYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2(4ALLYL5BENZYL4H(124)TRIAZOL3YLSULFANYL)1(3NITROPHENYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CC3=CC=CC=C3
C=CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC20H18N4O3Sc12112319(12157435815)212220(23)281418(25)16961017(1316)24(26)27h21013H1111214H2
MFCD08670204
ZINC000006293533
ZINC06293533
ZINC6293533
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