Vitas-M small molecule compound
(5E)-5-(3,4-diethoxy-5-iodobenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188090
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(I)c(c(c2)OCC)OCC)/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 C18H19IN2O4S MW 486.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19IN2O4S/c1-4-7-21-17(23)12(16(22)20-18(21)26)8-11-9-13(19)15(25-6-3)14(10-11)24-5-2/h4,8-10H,1,5-7H2,2-3H3,(H,20,22,26)/b12-8+InChIKey
WYHPWVUVZPPQDQ-XYOKQWHBSA-NSynonyms
(5E)5((34DIETHOXY5IODOPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(34DIETHOXY5IODOBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(I)c(c(c2)OCC)OCC)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)I)OCC
InChI=1SC18H19IN2O4Sc1472117(23)12(16(22)2018(21)26)811913(19)15(2563)14(1011)2452h4810H157H223H3(H202226)b128+
MFCD03699169
ZINC000009260172
ZINC09260172
ZINC9260172
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