Vitas-M small molecule compound
N-{[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]carbonothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK892793
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=S)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 C21H22N4O6S MW 458.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O6S/c1-29-15-3-4-16(17(13-15)25(27)28)23-6-8-24(9-7-23)21(32)22-20(26)14-2-5-18-19(12-14)31-11-10-30-18/h2-5,12-13H,6-11H2,1H3,(H,22,26,32)InChIKey
WBGPWSZAUXBUTQ-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC4=C(C=C3)OCCO4)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=S)NC(=O)c1ccc2c(c1)OCCO2
InChI=1SC21H22N4O6Sc129153416(17(1315)25(27)28)236824(9723)21(32)2220(26)14251819(1214)3111103018h251213H611H21H3(H222632)
MFCD07358709
N((4(4methoxy2nitrophenyl)piperazin1yl)carbonothioyl)23dihydro14benzodioxine6carboxamide
N(4(4METHOXY2NITROPHENYL)PIPERAZINE1CARBOTHIOYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
ZINC000008904584
ZINC08904584
ZINC8904584
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