Vitas-M small molecule compound
3-[(2E)-3-phenylprop-2-en-1-yl]-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL079757
SMILES S=c1[nH]c2sc3c(c2c(=O)n1C/C=C/c1ccccc1)CCCC3
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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 C19H18N2OS2 MW 354.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2OS2/c22-18-16-14-10-4-5-11-15(14)24-17(16)20-19(23)21(18)12-6-9-13-7-2-1-3-8-13/h1-3,6-9H,4-5,10-12H2,(H,20,23)/b9-6+InChIKey
ILCVKYDKFIKTLW-RMKNXTFCSA-NSynonyms
3((2E)3phenylprop2en1yl)2thioxo235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
3((E)3phenylprop2enyl)2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)CC=CC4=CC=CC=C4
InChI=1SC19H18N2OS2c2218161410451115(14)2417(16)2019(23)21(18)1269137213813h1369H451012H2(H2023)b96+
MFCD05718949
S=c1(nH)c2sc3c(c2c(=O)n1CC=Cc1ccccc1)CCCC3
ZINC000002705119
ZINC02705119
ZINC2705119
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