Vitas-M small molecule compound
(5E)-5-(4-chlorobenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK090082
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(cc2)Cl)/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 C14H11ClN2O2S MW 306.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClN2O2S/c1-2-7-17-13(19)11(12(18)16-14(17)20)8-9-3-5-10(15)6-4-9/h2-6,8H,1,7H2,(H,16,18,20)/b11-8+InChIKey
JDIFEOKOJPESSS-DHZHZOJOSA-NSynonyms
(5E)5((4CHLOROPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4CHLOROBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=O)C(=CC2=CC=C(C=C2)Cl)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(cc2)Cl)C1=O
InChI=1SC14H11ClN2O2Sc1271713(19)11(12(18)1614(17)20)893510(15)649h268H17H2(H161820)b118+
MFCD02194351
STK090082
ZINC000000296343
ZINC00296343
ZINC296343
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