Vitas-M small molecule compound

ethyl (2E)-4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate

Catalog ID
STL079776
SMILES CCOC(=O)/C=C/CSc1nc2sc3c(c2c(=O)[nH]1)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 C16H18N2O3S2 MW 350.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3S2/c1-2-21-12(19)8-5-9-22-16-17-14(20)13-10-6-3-4-7-11(10)23-15(13)18-16/h5,8H,2-4,6-7,9H2,1H3,(H,17,18,20)/b8-5+
InChIKey
QWDCEDYBGJITRT-VMPITWQZSA-N
Synonyms
324579-88-6
324579886
CCOC(=O)C=CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1
CCOC(=O)C=CCSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ethyl(2E)4((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)but2enoate
ethyl(E)4((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)but2enoate
InChI=1SC16H18N2O3S2c122112(19)85922161714(20)1310634711(10)2315(13)1816h58H24679H21H3(H171820)b85+
MFCD01831187
ZINC000005093140
ZINC05093140
ZINC5093140

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Available files

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