Vitas-M small molecule compound
methyl 4-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Catalog ID
STL090238
SMILES COC(=O)c1ccc(cc1)CSc1[nH]c(=O)c2c(n1)sc(c2C)C
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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 C17H16N2O3S2 MW 360.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3S2/c1-9-10(2)24-15-13(9)14(20)18-17(19-15)23-8-11-4-6-12(7-5-11)16(21)22-3/h4-7H,8H2,1-3H3,(H,18,19,20)InChIKey
VXOUXLOPIWTFJX-UHFFFAOYSA-NSynonyms
CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C
COC(=O)c1ccc(cc1)CSc1(nH)c(=O)c2c(n1)sc(c2C)C
InChI=1SC17H16N2O3S2c1910(2)241513(9)14(20)1817(1915)238114612(7511)16(21)223h47H8H213H3(H181920)
methyl4(((56dimethyl4oxo34dihydrothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzoate
METHYL4((56DIMETHYL4OXO3HTHIENO(23D)PYRIMIDIN2YL)SULFANYLMETHYL)BENZOATE
METHYL4((56DIMETHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDIN2YLTHIO)METHYL)BENZOATE
MFCD01455550
ZINC000013637784
ZINC13637784
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