Vitas-M small molecule compound
N-(3-methylphenyl)-2-(4-{(Z)-[1-(4-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetamide
Catalog ID
STL484744
SMILES O=C(Nc1cccc(c1)C)COc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(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 C26H20N4O7 MW 500.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O7/c1-16-3-2-4-18(13-16)27-23(31)15-37-21-11-5-17(6-12-21)14-22-24(32)28-26(34)29(25(22)33)19-7-9-20(10-8-19)30(35)36/h2-14H,15H2,1H3,(H,27,31)(H,28,32,34)/b22-14-InChIKey
PJMQMLDZMNJDEA-HMAPJEAMSA-NSynonyms
CC1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC26H20N4O7c11632418(1316)2723(31)15372111517(61221)142224(32)2826(34)29(25(22)33)197920(10819)30(35)36h214H15H21H3(H2731)(H283234)b2214
MFCD30713682
N(3methylphenyl)2(4((Z)(1(4nitrophenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)acetamide
N(3methylphenyl)2(4((Z)(1(4nitrophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)acetamide
O=C(Nc1cccc(c1)C)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000033455799
ZINC33455799
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