Vitas-M small molecule compound
5-{[(4-methyl-2-nitrophenyl)amino]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL295231
SMILES S=C1NC(=O)C(=CNc2ccc(cc2[N+](=O)[O-])C)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 C12H10N4O4S MW 306.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N4O4S/c1-6-2-3-8(9(4-6)16(19)20)13-5-7-10(17)14-12(21)15-11(7)18/h2-5,13H,1H3,(H2,14,15,17,18,21)InChIKey
RQTFUSLXSYGBML-UHFFFAOYSA-NSynonyms
5(((4methyl2nitrophenyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
5((4METHYL2NITROANILINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)NC=C2C(=O)NC(=S)NC2=O)(N+)(=O)(O)
InChI=1SC12H10N4O4Sc16238(9(46)16(19)20)135710(17)1412(21)1511(7)18h2513H1H3(H21415171821)
MFCD00697175
S=C1NC(=O)C(=CNc2ccc(cc2(N+)(=O)(O))C)C(=O)N1
ZINC000006694298
ZINC6694298
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