Vitas-M small molecule compound

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

Catalog ID
STK187218
SMILES S=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-11-8-13(9-16-17(24)20(3)19(28)21(4)18(16)25)12(2)22(11)14-6-5-7-15(10-14)23(26)27/h5-10H,1-4H3
InChIKey
AGIMKCSWOGGFKY-UHFFFAOYSA-N
Synonyms
420832-63-9
420832639
5((25DIMETHYL1(3NITROPHENYL)1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
BENZENESULFONICACID22(IMINOBIS((910DIHYDRO910DIOXO31ANTHRACENEDIYL)IMINO))BIS(5METHYL(9CI)
CC1=CC(=C(N1C2=CC(=CC=C2)(N+)(=O)(O))C)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC19H18N4O4Sc111813(91617(24)20(3)19(28)21(4)18(16)25)12(2)22(11)1465715(1014)23(26)27h510H14H3
MFCD02609176
S=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C(=O)N1C
ZINC000001186548
ZINC01186548
ZINC1186548

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Available files

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