Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196853
SMILES Brc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)N2CCCC2)/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 C19H16BrN3O3S MW 446.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrN3O3S/c20-12-3-5-13(6-4-12)23-18(25)15(17(24)21-19(23)27)11-14-7-8-16(26-14)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H,21,24,27)/b15-11-InChIKey
CUBJOGRDMDJPMI-PTNGSMBKSA-NSynonyms
(5Z)1(4BROMOPHENYL)5((5(PYRROLIDIN1YL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(4BROMOPHENYL)5((5PYRROLIDIN1YLFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)N2CCCC2)C1=O
C1CCN(C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC19H16BrN3O3Sc20123513(6412)2318(25)15(17(24)2119(23)27)11147816(2614)229121022h3811H12910H2(H212427)b1511
MFCD03226607
ZINC000006997572
ZINC06997572
ZINC6997572
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