Vitas-M small molecule compound
5-{3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK037508
SMILES CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(cc1)C)Cl
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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 C22H21ClN2O5S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5S/c1-3-28-18-12-14(10-16-20(26)24-22(31)25-21(16)27)11-17(23)19(18)30-9-8-29-15-6-4-13(2)5-7-15/h4-7,10-12H,3,8-9H2,1-2H3,(H2,24,25,26,27,31)InChIKey
UBQXFZLXRFZKJH-UHFFFAOYSA-NSynonyms
5((3CHLORO5ETHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3CHLORO5ETHOXY4(2(4METHYLPHENOXY)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)OCCOC3=CC=C(C=C3)C
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(cc1)C)Cl
InChI=1SC22H21ClN2O5Sc1328181214(101620(26)2422(31)2521(16)27)1117(23)19(18)309829156413(2)5715h471012H389H212H3(H22425262731)
MFCD03145357
STK037508
ZINC000002993830
ZINC02993830
ZINC2993830
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