Vitas-M small molecule compound

3-{[(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl](propan-2-yl)amino}propanenitrile

Catalog ID
STK700303
SMILES N#CCCN(C(C)C)Cn1c(=O)oc2c1ccc(c2)[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 C14H16N4O4 MW 304.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O4/c1-10(2)16(7-3-6-15)9-17-12-5-4-11(18(20)21)8-13(12)22-14(17)19/h4-5,8,10H,3,7,9H2,1-2H3
InChIKey
YYSVXOUFHYNPGW-UHFFFAOYSA-N
Synonyms
312591-78-9
3(((6nitro2oxo13benzoxazol3(2H)yl)methyl)(propan2yl)amino)propanenitrile
3((6NITRO2OXO13BENZOXAZOL3YL)METHYLPROPAN2YLAMINO)PROPANENITRILE
3(ISOPROPYL((6NITRO2OXO13BENZOXAZOL3(2H)YL)METHYL)AMINO)PROPANENITRILE
3(isopropyl((6nitro2oxobenzo(d)oxazol3(2H)yl)methyl)amino)propanenitrile
312591789
CC(C)N(CCC#N)CN1C2=C(C=C(C=C2)(N+)(=O)(O))OC1=O
InChI=1SC14H16N4O4c110(2)16(73615)917125411(18(20)21)813(12)2214(17)19h45810H379H212H3
MFCD00732639
N#CCCN(C(C)C)Cn1c(=O)oc2c1ccc(c2)(N+)(=O)(O)
PROPANONITRILE3(23DIHYDRO6NITRO2OXO13BENZOXAZOL3YLMETHYL)(ISOPROPYL)AMINO
ZINC000020764027
ZINC20764027

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Available files

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