Vitas-M small molecule compound

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

Catalog ID
STK197567
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1F

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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 C21H12FN3O5S MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12FN3O5S/c22-16-3-1-2-4-17(16)24-20(27)15(19(26)23-21(24)31)11-14-9-10-18(30-14)12-5-7-13(8-6-12)25(28)29/h1-11H,(H,23,26,31)/b15-11-
InChIKey
DFANYDMHINKHLW-PTNGSMBKSA-N
Synonyms

(5Z)1(2FLUOROPHENYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(2FLUOROPHENYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=S)F
InChI=1SC21H12FN3O5Sc2216312417(16)2420(27)15(19(26)2321(24)31)111491018(3014)125713(8612)25(28)29h111H(H232631)b1511
MFCD02624076
O=C1NC(=S)N(C(=O)C1=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))c1ccccc1F
ZINC000007003493
ZINC07003493
ZINC7003493

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Available files

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