Vitas-M small molecule compound
(5Z)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188081
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(Cl)c(c(c2)OCC)OC(CC)C)/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 C20H23ClN2O4S MW 422.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O4S/c1-5-8-23-19(25)14(18(24)22-20(23)28)9-13-10-15(21)17(27-12(4)6-2)16(11-13)26-7-3/h5,9-12H,1,6-8H2,2-4H3,(H,22,24,28)/b14-9-InChIKey
PDMDDYALFKXIAW-ZROIWOOFSA-NSynonyms
(5Z)5((4butan2yloxy3chloro5ethoxyphenyl)methylidene)1prop2enyl2sulfanylidene13diazinane46dione
(5Z)5(4(BUTAN2YLOXY)3CHLORO5ETHOXYBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(Cl)c(c(c2)OCC)OC(CC)C)C1=O
CCC(C)OC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC
InChI=1SC20H23ClN2O4Sc1582319(25)14(18(24)2220(23)28)9131015(21)17(2712(4)62)16(1113)2673h5912H168H224H3(H222428)b149
MFCD04548764
ZINC000004723865
ZINC000004723866
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