Vitas-M small molecule compound
5-[3-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK035780
SMILES COc1cc(ccc1OCCOc1ccccc1)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 C20H18N2O5S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S/c1-25-17-12-13(11-15-18(23)21-20(28)22-19(15)24)7-8-16(17)27-10-9-26-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H2,21,22,23,24,28)InChIKey
BNSXPARJOCYKGI-UHFFFAOYSA-NSynonyms
5((3METHOXY4(2PHENOXYETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3METHOXY4(2PHENOXYETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCCOC3=CC=CC=C3
COc1cc(ccc1OCCOc1ccccc1)C=C1C(=O)NC(=S)NC1=O
InChI=1SC20H18N2O5Sc125171213(111518(23)2120(28)2219(15)24)7816(17)2710926145324614h281112H910H21H3(H22122232428)
MFCD02017611
STK035780
ZINC000004615021
ZINC04615021
ZINC4615021
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