Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-nitrophenyl)butanediamide
Catalog ID
STK013141
SMILES O=C(NCc1ccc2c(c1)OCO2)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
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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 C18H17N3O6 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6/c22-17(19-10-12-1-6-15-16(9-12)27-11-26-15)7-8-18(23)20-13-2-4-14(5-3-13)21(24)25/h1-6,9H,7-8,10-11H2,(H,19,22)(H,20,23)InChIKey
MYAABHHOYLHCEF-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H17N3O6c2217(191012161516(912)27112615)7818(23)20132414(5313)21(24)25h169H781011H2(H1922)(H2023)
MFCD08049496
N(13BENZODIOXOL5YLMETHYL)N(4NITROPHENYL)BUTANEDIAMIDE
O=C(NCc1ccc2c(c1)OCO2)CCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
STK013141
ZINC000004551640
ZINC04551640
ZINC4551640
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