Vitas-M small molecule compound

N-{4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl}-4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide

Catalog ID
STK049464
SMILES Clc1ccc(cc1)/C=C/c1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC=C1C(=O)N(C)C(=O)N(C1=O)C

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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 C25H21ClN6O5S MW 553.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN6O5S/c1-31-22(33)21(23(34)32(2)25(31)35)15-28-18-9-11-20(12-10-18)38(36,37)30-24-27-14-13-19(29-24)8-5-16-3-6-17(26)7-4-16/h3-15,28H,1-2H3,(H,27,29,30)/b8-5+
InChIKey
FBGAZBIFAFFOJY-VMPITWQZSA-N
Synonyms

5(((4(((4((1E)2(4CHLOROPHENYL)VINYL)PYRIMIDIN2YL)AMINO)SULFONYL)PHENYL)AMINO)METHYLENE)13DIMETHYL13DIHYDROPYRIMIDINE246TRIONE
Clc1ccc(cc1)C=Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC=C1C(=O)N(C)C(=O)N(C1=O)C
CN1C(=O)C(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C=CC4=CC=C(C=C4)Cl)C(=O)N(C1=O)C
InChI=1SC25H21ClN6O5Sc13122(33)21(23(34)32(2)25(31)35)15281891120(121018)38(3637)302427141319(2924)85163617(26)7416h31528H12H3(H272930)b85+
MFCD03161627
N(4((E)2(4CHLOROPHENYL)ETHENYL)PYRIMIDIN2YL)4(((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)AMINO)BENZENESULFONAMIDE
N(4((E)2(4CHLOROPHENYL)ETHENYL)PYRIMIDIN2YL)4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYLAMINO)BENZENESULFONAMIDE
STK049464
ZINC000100424697
ZINC100424697

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Available files

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