Vitas-M small molecule compound
N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide
Catalog ID
STL398057
SMILES O=C(Cn1cnc2c(c1=O)c1CCCCc1s2)N/N=C/c1cn(nc1C)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 C18H20N6O2S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O2S/c1-11-12(8-23(2)22-11)7-20-21-15(25)9-24-10-19-17-16(18(24)26)13-5-3-4-6-14(13)27-17/h7-8,10H,3-6,9H2,1-2H3,(H,21,25)/b20-7+InChIKey
XKNPHGXDHPJWDW-IFRROFPPSA-NSynonyms
1005643-23-11005643231
CC1=NN(C=C1C=NNC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCC4)C
InChI=1SC18H20N6O2Sc11112(823(2)2211)7202115(25)92410191716(18(24)26)13534614(13)2717h7810H369H212H3(H2125)b207+
MFCD04049081
N((E)(13dimethyl1Hpyrazol4yl)methylidene)2(4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)acetohydrazide
N((E)(13dimethylpyrazol4yl)methylideneamino)2(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)acetamide
O=C(Cn1cnc2c(c1=O)c1CCCCc1s2)NN=Cc1cn(nc1C)C
ZINC000002747736
ZINC35657280
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