Vitas-M small molecule compound

5-{[(2-nitrophenyl)amino]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK878326
SMILES S=C1NC(=O)C(=CNc2ccccc2[N+](=O)[O-])C(=O)N1

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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 C11H8N4O4S MW 292.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N4O4S/c16-9-6(10(17)14-11(20)13-9)5-12-7-3-1-2-4-8(7)15(18)19/h1-5,12H,(H2,13,14,16,17,20)
InChIKey
PHSPJPIGXPJPOR-UHFFFAOYSA-N
Synonyms

2THIOXO5(2NITROPHENYLAMINOMETHYLENE)HEXAHYDROPYRIMIDINE46DIONE
5(((2NITROPHENYL)AMINO)METHYLENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(((2nitrophenyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
5((2nitroanilino)methylidene)2sulfanylidene13diazinane46dione
C1=CC=C(C(=C1)NC=C2C(=O)NC(=S)NC2=O)(N+)(=O)(O)
InChI=1SC11H8N4O4Sc1696(10(17)1411(20)139)512731248(7)15(18)19h1512H(H21314161720)
MFCD00697115
S=C1NC(=O)C(=CNc2ccccc2(N+)(=O)(O))C(=O)N1
ZINC000017177974
ZINC17177974

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Available files

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