Vitas-M small molecule compound
(5Z)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189454
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2ccc(cc2)Sc2ccc(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 C20H15ClN2O2S2 MW 414.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O2S2/c1-2-11-23-19(25)17(18(24)22-20(23)26)12-13-3-7-15(8-4-13)27-16-9-5-14(21)6-10-16/h2-10,12H,1,11H2,(H,22,24,26)/b17-12-InChIKey
CHGSIKFIUIMKIM-ATVHPVEESA-NSynonyms
(5Z)5((4(4CHLOROPHENYL)SULFANYLPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(4((4CHLOROPHENYL)SULFANYL)BENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=O)C(=CC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(cc2)Sc2ccc(cc2)Cl)C1=O
InChI=1SC20H15ClN2O2S2c12112319(25)17(18(24)2220(23)26)12133715(8413)27169514(21)61016h21012H111H2(H222426)b1712
MFCD04087231
ZINC000012343691
ZINC12343691
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