Vitas-M small molecule compound

(5E)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK192767
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C)c1cccc(c1Cl)Cl

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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 C27H25Cl2N3O2S MW 526.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25Cl2N3O2S/c1-15-13-17(16(2)31(15)19-11-9-18(10-12-19)27(3,4)5)14-20-24(33)30-26(35)32(25(20)34)22-8-6-7-21(28)23(22)29/h6-14H,1-5H3,(H,30,33,35)/b20-14+
InChIKey
PUMBLMICIWMNGQ-XSFVSMFZSA-N
Synonyms
347379-42-4
(5E)5((1(4TERTBUTYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(23DICHLOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4TERTBUTYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(23DICHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(Z)5((1(4(tertbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)1(23dichlorophenyl)2thioxodihydropyrimidine46(1H5H)dione
347379424
CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC27H25Cl2N3O2Sc1151317(16(2)31(15)1911918(101219)27(34)5)142024(33)3026(35)32(25(20)34)2286721(28)23(22)29h614H15H3(H303335)b2014+
MFCD03469654
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C)c1cccc(c1Cl)Cl
ZINC000100211545
ZINC100211545

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Available files

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