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

Catalog ID
STK191826
SMILES Clc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)Sc2ccc(cc2)[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 C29H21ClN4O4S2 MW 589.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN4O4S2/c1-17-14-19(15-26-27(35)31-29(39)33(28(26)36)23-5-3-4-20(30)16-23)18(2)32(17)21-6-10-24(11-7-21)40-25-12-8-22(9-13-25)34(37)38/h3-16H,1-2H3,(H,31,35,39)/b26-15+
InChIKey
MMAFMRAYDBRNAC-CVKSISIWSA-N
Synonyms

(5E)1(3CHLOROPHENYL)5((25DIMETHYL1(4((4NITROPHENYL)SULFANYL)PHENYL)1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3CHLOROPHENYL)5((25DIMETHYL1(4(4NITROPHENYL)SULFANYLPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((25DIMETHYL1(4(4NITROPHENYLTHIO)PHENYL)PYRROL3YL)METHYLENE)1(3CHLOROPHENYL)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)(N+)(=O)(O))C)C=C4C(=O)NC(=S)N(C4=O)C5=CC(=CC=C5)Cl
Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Sc2ccc(cc2)(N+)(=O)(O))C)C1=O
InChI=1SC29H21ClN4O4S2c1171419(152627(35)3129(39)33(28(26)36)2353420(30)1623)18(2)32(17)2161024(11721)402512822(91325)34(37)38h316H12H3(H313539)b2615+
MFCD01824884
ZINC000004048215
ZINC4048215

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Available files

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