Vitas-M small molecule compound
(5Z)-1-(2-fluorophenyl)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK200989
SMILES C#CCOc1ccc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C21H15FN2O4S MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN2O4S/c1-3-10-28-17-9-8-13(12-18(17)27-2)11-14-19(25)23-21(29)24(20(14)26)16-7-5-4-6-15(16)22/h1,4-9,11-12H,10H2,2H3,(H,23,25,29)/b14-11-InChIKey
NDCRYOMZQZCENK-KAMYIIQDSA-NSynonyms
(5Z)1(2FLUOROPHENYL)5((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(2FLUOROPHENYL)5(3METHOXY4(PROP2YN1YLOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C#CCOc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC#C
InChI=1SC21H15FN2O4Sc131028179813(1218(17)272)111419(25)2321(29)24(20(14)26)16754615(16)22h1491112H10H22H3(H232529)b1411
MFCD03226598
ZINC000004739648
ZINC04739648
ZINC4739648
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