Vitas-M small molecule compound

(5Z)-5-{3-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-1-(3-nitrophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK119295
SMILES COc1cc(ccc1OCc1cccc(c1)C)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)[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 C26H21N3O7 MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O7/c1-16-5-3-6-18(11-16)15-36-22-10-9-17(13-23(22)35-2)12-21-24(30)27-26(32)28(25(21)31)19-7-4-8-20(14-19)29(33)34/h3-14H,15H2,1-2H3,(H,27,30,32)/b21-12-
InChIKey
KMXOHLZGTUYVLE-MTJSOVHGSA-N
Synonyms

(5Z)5((3METHOXY4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(3NITROPHENYL)13DIAZINANE246TRIONE
(5Z)5(3METHOXY4((3METHYLBENZYL)OXY)BENZYLIDENE)1(3NITROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O))OC
COc1cc(ccc1OCc1cccc(c1)C)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H21N3O7c11653618(1116)15362210917(1323(22)352)122124(30)2726(32)28(25(21)31)1974820(1419)29(33)34h314H15H212H3(H273032)b2112
MFCD04084983
ZINC000001185352
ZINC01185352
ZINC1185352

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Available files

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