Vitas-M small molecule compound
5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188159
SMILES CN1C(=S)N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C)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 C25H21N5O7S MW 535.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O7S/c1-14-11-16(12-20-23(31)26(3)25(38)27(4)24(20)32)15(2)28(14)17-5-8-19(9-6-17)37-22-10-7-18(29(33)34)13-21(22)30(35)36/h5-13H,1-4H3InChIKey
XLJBOUXPFLEUII-UHFFFAOYSA-NSynonyms
5((1(4(24DINITROPHENOXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(4(24DINITROPHENOXY)PHENYL)25DIMETHYLPYRROL3YL)METHYLENE)13DIMETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((1(4(24DINITROPHENOXY)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C)C=C4C(=O)N(C(=S)N(C4=O)C)C
CN1C(=S)N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Oc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))C)C1=O
InChI=1SC25H21N5O7Sc1141116(122023(31)26(3)25(38)27(4)24(20)32)15(2)28(14)175819(9617)372210718(29(33)34)1321(22)30(35)36h513H14H3
MFCD02602892
ZINC000004083676
ZINC4083676
Check stock
See real-time availability and sample size for STK188159 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.