Vitas-M small molecule compound
5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197674
SMILES O=C1/C(=C/c2cc(n(c2c2ccccc2)c2ccc(cc2)[N+](=O)[O-])c2ccccc2)/C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
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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 C39H26N4O4S MW 646.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H26N4O4S/c44-37-34(38(45)42(31-19-11-4-12-20-31)39(48)41(37)30-17-9-3-10-18-30)25-29-26-35(27-13-5-1-6-14-27)40(36(29)28-15-7-2-8-16-28)32-21-23-33(24-22-32)43(46)47/h1-26HInChIKey
HEEJEJQWMMOOGD-UHFFFAOYSA-NSynonyms
5((1(4NITROPHENYL)25DIPHENYL1HPYRROL3YL)METHYLIDENE)13DIPHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(4NITROPHENYL)25DIPHENYLPYRROL3YL)METHYLIDENE)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)C=C5C(=O)N(C(=S)N(C5=O)C6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC39H26N4O4Sc443734(38(45)42(3119114122031)39(48)41(37)301793101830)25292635(27135161427)40(36(29)28157281628)32212333(242232)43(46)47h126H
MFCD01611654
O=C1C(=Cc2cc(n(c2c2ccccc2)c2ccc(cc2)(N+)(=O)(O))c2ccccc2)C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
ZINC000098050593
ZINC98050593
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.