Vitas-M small molecule compound

5-{4-[bis(2-methylpropyl)amino]-3-nitrobenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK753645
SMILES CC(CN(c1ccc(cc1[N+](=O)[O-])C=C1C(=O)NC(=S)NC1=O)CC(C)C)C

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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 C19H24N4O4S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O4S/c1-11(2)9-22(10-12(3)4)15-6-5-13(8-16(15)23(26)27)7-14-17(24)20-19(28)21-18(14)25/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,24,25,28)
InChIKey
BWEKPQUKWLNUKX-UHFFFAOYSA-N
Synonyms
6063-97-4
5((4(BIS(2METHYLPROPYL)AMINO)3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(4(bis(2methylpropyl)amino)3nitrobenzylidene)2thioxodihydropyrimidine46(1H5H)dione
5(4(DIISOBUTYLAMINO)3NITROBENZYLIDENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5(4(DIISOBUTYLAMINO)3NITROBENZYLIDENE)2THIOXOHEXAHYDROPYRIMIDINE46QUINONE
6063974
CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)(N+)(=O)(O)
CC(CN(c1ccc(cc1(N+)(=O)(O))C=C1C(=O)NC(=S)NC1=O)CC(C)C)C
InChI=1SC19H24N4O4Sc111(2)922(1012(3)4)156513(816(15)23(26)27)71417(24)2019(28)2118(14)25h581112H910H214H3(H22021242528)
MFCD00469459
ZINC000004180848
ZINC4180848

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Available files

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