Vitas-M small molecule compound

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

Catalog ID
STK192540
SMILES Brc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O

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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 C21H12BrN3O5S MW 498.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrN3O5S/c22-13-4-2-5-14(10-13)24-20(27)17(19(26)23-21(24)31)11-16-7-8-18(30-16)12-3-1-6-15(9-12)25(28)29/h1-11H,(H,23,26,31)/b17-11+
InChIKey
AWGGUJXPOMWILD-GZTJUZNOSA-N
Synonyms

(5E)1(3BROMOPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3BROMOPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)1(3BROMOPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(E)1(3bromophenyl)5((5(3nitrophenyl)furan2yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
Brc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))C1=O
C1=CC(=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br
InChI=1SC21H12BrN3O5Sc221342514(1013)2420(27)17(19(26)2321(24)31)11167818(3016)1231615(912)25(28)29h111H(H232631)b1711+
MFCD02213295
ZINC17045028

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Available files

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