Vitas-M small molecule compound

(5Z)-1-(4-bromophenyl)-5-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK192749
SMILES Brc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)C2CCCC2)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 C22H22BrN3O2S MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O2S/c1-13-11-15(14(2)25(13)17-5-3-4-6-17)12-19-20(27)24-22(29)26(21(19)28)18-9-7-16(23)8-10-18/h7-12,17H,3-6H2,1-2H3,(H,24,27,29)/b19-12-
InChIKey
RRNOJVJBIUXOKE-UNOMPAQXSA-N
Synonyms

(5Z)1(4BROMOPHENYL)5((1CYCLOPENTYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(4BROMOPHENYL)5((1CYCLOPENTYL25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CCCC2)C)C1=O
CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC22H22BrN3O2Sc1131115(14(2)25(13)17534617)121920(27)2422(29)26(21(19)28)189716(23)81018h71217H36H212H3(H242729)b1912
MFCD03167293
ZINC000000654594
ZINC00654594
ZINC654594

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Available files

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