Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195621
SMILES Brc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(c(c2)C)I)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 C24H19BrIN3O2S MW 620.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrIN3O2S/c1-13-10-19(8-9-21(13)26)28-14(2)11-16(15(28)3)12-20-22(30)27-24(32)29(23(20)31)18-6-4-17(25)5-7-18/h4-12H,1-3H3,(H,27,30,32)/b20-12-InChIKey
GUPRRKBCNKQXCQ-NDENLUEZSA-NSynonyms
(5Z)1(4BROMOPHENYL)5((1(4IODO3METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(4bromophenyl)5((1(4iodo3methylphenyl)25dimethylpyrrol3yl)methylidene)2sulfanylidene13diazinane46dione
Brc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)C)I)C)C1=O
CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC24H19BrIN3O2Sc1131019(8921(13)26)2814(2)1116(15(28)3)122022(30)2724(32)29(23(20)31)186417(25)5718h412H13H3(H273032)b2012
MFCD02624324
ZINC000097960932
ZINC97960932
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