Vitas-M small molecule compound
[9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene]propanedinitrile
Catalog ID
STK137718
SMILES CCOc1cc2C(=C(C#N)C#N)C(=O)N3c2c(c1)c1c(=S)n(sc1C3(C)C)c1ccc(cc1)Cl
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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 C25H17ClN4O2S2 MW 505.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClN4O2S2/c1-4-32-16-9-17-19(13(11-27)12-28)23(31)29-21(17)18(10-16)20-22(25(29,2)3)34-30(24(20)33)15-7-5-14(26)6-8-15/h5-10H,4H2,1-3H3InChIKey
IVNFUKCSFDESFZ-UHFFFAOYSA-NSynonyms
724780-19-2(9(4CHLOROPHENYL)2ETHOXY77DIMETHYL5OXO10THIOXO910DIHYDRO7HPYRROLO(321IJ)(12)THIAZOLO(54C)QUINOLIN4(5H)YLIDENE)PROPANEDINITRILE
2(9(4chlorophenyl)2ethoxy77dimethyl5oxo10thioxo57910tetrahydro4Hisothiazolo(54c)pyrrolo(321ij)quinolin4ylidene)malononitrile
724780192
CCOC1=CC2=C3C(=C1)C4=C(C(N3C(=O)C2=C(C#N)C#N)(C)C)SN(C4=S)C5=CC=C(C=C5)Cl
InChI=1SC25H17ClN4O2S2c14321691719(13(1127)1228)23(31)2921(17)18(1016)2022(25(292)3)3430(24(20)33)157514(26)6815h510H4H213H3
MFCD03904366
ZINC000002437357
ZINC02437357
ZINC2437357
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