Vitas-M small molecule compound
1,3-dimethyl-5-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK755407
SMILES O=C1N(C)C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Sc2nc3c(s2)cc(cc3)[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 C20H13N5O7S2 MW 499.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N5O7S2/c1-22-17(26)12(18(27)23(2)20(22)28)7-10-3-6-15(14(8-10)25(31)32)33-19-21-13-5-4-11(24(29)30)9-16(13)34-19/h3-9H,1-2H3InChIKey
PAJMEQSDMBGLRI-UHFFFAOYSA-NSynonyms
13DIMETHYL5((3NITRO4((6NITRO13BENZOTHIAZOL2YL)SULFANYL)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
13DIMETHYL5((3NITRO4(6NITROBENZOTHIAZOL2YLTHIO)PHENYL)METHYLENE)13DIHYDROPYRIMIDINE246TRIONE
13dimethyl5(3nitro4((6nitro13benzothiazol2yl)sulfanyl)benzylidene)pyrimidine246(1H3H5H)trione
CN1C(=O)C(=CC2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))C(=O)N(C1=O)C
InChI=1SC20H13N5O7S2c12217(26)12(18(27)23(2)20(22)28)7103615(14(810)25(31)32)331921135411(24(29)30)916(13)3419h39H12H3
MFCD00762044
O=C1N(C)C(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))Sc2nc3c(s2)cc(cc3)(N+)(=O)(O))C(=O)N1C
ZINC000003097195
ZINC03097195
ZINC3097195
Check stock
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Check stock on Vitas-MAvailable files
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