Vitas-M small molecule compound

(5E)-5-[(1-{4-[(4-bromobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK190068
SMILES Brc1ccc(cc1)COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)C

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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 C25H22BrN3O3S MW 524.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O3S/c1-15-12-18(13-22-23(30)27-25(33)28(3)24(22)31)16(2)29(15)20-8-10-21(11-9-20)32-14-17-4-6-19(26)7-5-17/h4-13H,14H2,1-3H3,(H,27,30,33)/b22-13+
InChIKey
FOOMFPXPNUUBPB-LPYMAVHISA-N
Synonyms

(5E)5((1(4((4BROMOBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4((4bromophenyl)methoxy)phenyl)25dimethylpyrrol3yl)methylidene)1methyl2sulfanylidene13diazinane46dione
Brc1ccc(cc1)COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C)C=C4C(=O)NC(=S)N(C4=O)C
InChI=1SC25H22BrN3O3Sc1151218(132223(30)2725(33)28(3)24(22)31)16(2)29(15)2081021(11920)3214174619(26)7517h413H14H213H3(H273033)b2213+
MFCD03228497
ZINC000097960963
ZINC97960963

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Available files

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