Vitas-M small molecule compound
(5E)-1-(3-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK199759
SMILES Cc1cccc(c1)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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-13-5-4-6-14(11-13)23-19(25)16(18(24)21-20(23)27)12-15-7-8-17(26-15)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,24,27)/b16-12+InChIKey
IYHZRUBQIOAXJQ-FOWTUZBSSA-NSynonyms
(5E)1(3METHYLPHENYL)5((5(PYRROLIDIN1YL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3METHYLPHENYL)5((5PYRROLIDIN1YLFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCC4)C(=O)NC2=S
Cc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)N2CCCC2)C1=O
InChI=1SC20H19N3O3Sc11354614(1113)2319(25)16(18(24)2120(23)27)12157817(2615)229231022h481112H23910H21H3(H212427)b1612+
MFCD02637304
ZINC000001185974
ZINC01185974
ZINC1185974
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