Vitas-M small molecule compound
2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK218568
SMILES C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1cccc(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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-3-10-23-19(16-8-4-6-14(2)11-16)21-22-20(23)28-13-18(25)15-7-5-9-17(12-15)24(26)27/h3-9,11-12H,1,10,13H2,2H3InChIKey
MLJNOFABDDZFIX-UHFFFAOYSA-NSynonyms
2((5(3METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(3METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
C=CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1c1cccc(c1)C
CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H18N4O3Sc13102319(1684614(2)1116)212220(23)281318(25)1575917(1215)24(26)27h391112H11013H22H3
MFCD06635307
ZINC000004814594
ZINC04814594
ZINC4814594
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