Vitas-M small molecule compound
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK877780
SMILES S=C1N(c2ccccc2)C(=O)/C(=C/c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C(=O)N1c1ccccc1
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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 C29H22N4O4S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O4S/c1-19-16-21(20(2)30(19)24-14-9-15-25(18-24)33(36)37)17-26-27(34)31(22-10-5-3-6-11-22)29(38)32(28(26)35)23-12-7-4-8-13-23/h3-18H,1-2H3InChIKey
AJIHXCAMFDXVLG-UHFFFAOYSA-NSynonyms
5((25dimethyl1(3nitrophenyl)1Hpyrrol3yl)methylene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5((25dimethyl1(3nitrophenyl)1Hpyrrol3yl)methylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC(=CC=C2)(N+)(=O)(O))C)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC29H22N4O4Sc1191621(20(2)30(19)241491525(1824)33(36)37)172627(34)31(22105361122)29(38)32(28(26)35)23127481323h318H12H3
MFCD01541315
S=C1N(c2ccccc2)C(=O)C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C(=O)N1c1ccccc1
ZINC000000843402
ZINC843402
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