Vitas-M small molecule compound
(5Z)-1-(2-ethylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197537
SMILES CCc1ccccc1N1C(=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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-2-14-7-3-4-8-17(14)24-20(26)16(19(25)22-21(24)28)13-15-9-10-18(27-15)23-11-5-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,25,28)/b16-13-InChIKey
ZQFKFRPGXMFQOJ-SSZFMOIBSA-NSynonyms
(5Z)1(2ETHYLPHENYL)5((5(PYRROLIDIN1YL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(2ETHYLPHENYL)5((5PYRROLIDIN1YLFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(Z)1(2ethylphenyl)5((5(pyrrolidin1yl)furan2yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)N4CCCC4)C(=O)NC2=S
CCc1ccccc1N1C(=S)NC(=O)C(=Cc2ccc(o2)N2CCCC2)C1=O
InChI=1SC21H21N3O3Sc1214734817(14)2420(26)16(19(25)2221(24)28)131591018(2715)2311561223h3471013H2561112H21H3(H222528)b1613
MFCD02904940
ZINC000004739013
ZINC04739013
ZINC4739013
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