Vitas-M small molecule compound

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

Catalog ID
STK197978
SMILES COc1ccc(c(c1)OC)N1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(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 C23H18N4O6S MW 478.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O6S/c1-32-17-8-9-19(20(13-17)33-2)26-22(29)18(21(28)24-23(26)34)12-15-7-4-10-25(15)14-5-3-6-16(11-14)27(30)31/h3-13H,1-2H3,(H,24,28,34)/b18-12+
InChIKey
SZPGIFHLKISQAN-LDADJPATSA-N
Synonyms

(5E)1(24DIMETHOXYPHENYL)5((1(3NITROPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(24DIMETHOXYPHENYL)5((1(3NITROPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
COC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC(=CC=C4)(N+)(=O)(O))C(=O)NC2=S)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC23H18N4O6Sc132178919(20(1317)332)2622(29)18(21(28)2423(26)34)1215741025(15)1453616(1114)27(30)31h313H12H3(H242834)b1812+
MFCD03923242
ZINC000001134720
ZINC1134720

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Available files

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