Vitas-M small molecule compound
(5E)-5-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187357
SMILES Brc1ccc(c(c1)/C=C/1\C(=O)NC(=S)N(C1=O)C)OCc1ccc(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 C19H14BrN3O5S MW 476.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O5S/c1-22-18(25)15(17(24)21-19(22)29)9-12-8-13(20)4-7-16(12)28-10-11-2-5-14(6-3-11)23(26)27/h2-9H,10H2,1H3,(H,21,24,29)/b15-9+InChIKey
AKJSCTYQOURRTG-OQLLNIDSSA-NSynonyms
(5E)5((5bromo2((4nitrophenyl)methoxy)phenyl)methylidene)1methyl2sulfanylidene13diazinane46dione
(5E)5(5BROMO2((4NITROBENZYL)OXY)BENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
Brc1ccc(c(c1)C=C1C(=O)NC(=S)N(C1=O)C)OCc1ccc(cc1)(N+)(=O)(O)
CN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)(N+)(=O)(O))C(=O)NC1=S
InChI=1SC19H14BrN3O5Sc12218(25)15(17(24)2119(22)29)912813(20)4716(12)2810112514(6311)23(26)27h29H10H21H3(H212429)b159+
MFCD04529747
ZINC000009311733
ZINC9311733
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