Vitas-M small molecule compound
N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK892466
SMILES S=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])NC(=O)c1ccc2c(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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c25-19(14-1-6-17-18(13-14)29-12-11-28-17)21-20(30)23-9-7-22(8-10-23)15-2-4-16(5-3-15)24(26)27/h1-6,13H,7-12H2,(H,21,25,30)InChIKey
OXYMBVRWHMTGEE-UHFFFAOYSA-NSynonyms
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=S)NC(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC20H20N4O5Sc2519(14161718(1314)2912112817)2120(30)239722(81023)152416(5315)24(26)27h1613H712H2(H212530)
MFCD05847686
N((4(4nitrophenyl)piperazin1yl)carbonothioyl)23dihydro14benzodioxine6carboxamide
N(4(4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
S=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))NC(=O)c1ccc2c(c1)OCCO2
ZINC000016428084
ZINC16428084
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