Vitas-M small molecule compound
5-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK071051
SMILES COc1cc(ccc1OCCSc1ccc(cc1)C)C=C1C(=O)NC(=S)NC1=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 C21H20N2O4S2 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S2/c1-13-3-6-15(7-4-13)29-10-9-27-17-8-5-14(12-18(17)26-2)11-16-19(24)22-21(28)23-20(16)25/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,24,25,28)InChIKey
FKTKOTMIFRKSAK-UHFFFAOYSA-NSynonyms
5((3METHOXY4(2((4METHYLPHENYL)SULFANYL)ETHOXY)PHENYL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((3METHOXY4(2(4METHYLPHENYL)SULFANYLETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3METHOXY4(2((4METHYLPHENYL)SULFANYL)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)OC
COc1cc(ccc1OCCSc1ccc(cc1)C)C=C1C(=O)NC(=S)NC1=O
InChI=1SC21H20N2O4S2c1133615(7413)2910927178514(1218(17)262)111619(24)2221(28)2320(16)25h381112H910H212H3(H22223242528)
MFCD03183754
STK071051
ZINC000013898631
ZINC13898631
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