Vitas-M small molecule compound

1,3-dimethyl-5-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187267
SMILES S=C1N(C)C(=O)C(=C/C=C/c2ccccc2[N+](=O)[O-])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 C15H13N3O4S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4S/c1-16-13(19)11(14(20)17(2)15(16)23)8-5-7-10-6-3-4-9-12(10)18(21)22/h3-9H,1-2H3/b7-5+
InChIKey
LJRYMGCHYKNKND-FNORWQNLSA-N
Synonyms

13DIMETHYL5((2E)3(2NITROPHENYL)PROP2EN1YLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
13DIMETHYL5((E)3(2NITROPHENYL)PROP2ENYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CN1C(=O)C(=CC=CC2=CC=CC=C2(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC15H13N3O4Sc11613(19)11(14(20)17(2)15(16)23)85710634912(10)18(21)22h39H12H3b75+
MFCD03705945
S=C1N(C)C(=O)C(=CC=Cc2ccccc2(N+)(=O)(O))C(=O)N1C
ZINC000000573033
ZINC00573033
ZINC573033

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Available files

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