Vitas-M small molecule compound
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL090234
SMILES O=c1[nH]c(SC/C=C/c2ccccc2)nc2c1c1CCCCc1s2
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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/c22-17-16-14-10-4-5-11-15(14)24-18(16)21-19(20-17)23-12-6-9-13-7-2-1-3-8-13/h1-3,6-9H,4-5,10-12H2,(H,20,21,22)/b9-6+InChIKey
TWZORCDXXUCSSZ-RMKNXTFCSA-NSynonyms
2(((2E)3phenylprop2en1yl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((E)3phenylprop2enyl)sulfanyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC=CC4=CC=CC=C4
InChI=1SC19H18N2OS2c2217161410451115(14)2418(16)2119(2017)231269137213813h1369H451012H2(H202122)b96+
MFCD02209379
O=c1(nH)c(SCC=Cc2ccccc2)nc2c1c1CCCCc1s2
ZINC000002073242
ZINC02073242
ZINC2073242
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