Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Catalog ID
STK446866
SMILES S=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)OCCO2
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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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c24-23(25)16-4-2-15(3-5-16)21-7-9-22(10-8-21)19(28)20-14-1-6-17-18(13-14)27-12-11-26-17/h1-6,13H,7-12H2,(H,20,28)InChIKey
BGJWNGVLAAWLMI-UHFFFAOYSA-NSynonyms
(2H3HBENZO(34E)14DIOXIN6YLAMINO)(4(4NITROPHENYL)PIPERAZINYL)METHANE1THIONE
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC19H20N4O4Sc2423(25)164215(3516)217922(10821)19(28)2014161718(1314)2712112617h1613H712H2(H2028)
MFCD04059163
N(23dihydro14benzodioxin6yl)4(4nitrophenyl)piperazine1carbothioamide
S=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))Nc1ccc2c(c1)OCCO2
ZINC000006402478
ZINC06402478
ZINC6402478
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