Vitas-M small molecule compound

5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK188176
SMILES S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)N1C

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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 C17H12ClN3O5S MW 405.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O5S/c1-19-15(22)11(16(23)20(2)17(19)27)8-10-4-6-14(26-10)9-3-5-12(18)13(7-9)21(24)25/h3-8H,1-2H3
InChIKey
GIUSKHYFIVTWAR-UHFFFAOYSA-N
Synonyms
425656-69-5
425656695
5((5(4CHLORO3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5((5(4CHLORO3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC17H12ClN3O5Sc11915(22)11(16(23)20(2)17(19)27)8104614(2610)93512(18)13(79)21(24)25h38H12H3
MFCD02608640
S=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)N1C
ZINC000001184144
ZINC01184144
ZINC1184144

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Available files

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