Vitas-M small molecule compound

2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK778696
SMILES CCSc1sc(cc1C1C(=C(N)N(C2=C1C(=O)CCC2)c1nnc(s1)SC(C)C)C#N)CC

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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 C23H27N5OS4 MW 517.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5OS4/c1-5-13-10-14(21(32-13)30-6-2)18-15(11-24)20(25)28(16-8-7-9-17(29)19(16)18)22-26-27-23(33-22)31-12(3)4/h10,12,18H,5-9,25H2,1-4H3
InChIKey
ABUMIOBMCAPDBW-UHFFFAOYSA-N
Synonyms

2amino4(5ethyl2(ethylsulfanyl)thiophen3yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(5ethyl2ethylsulfanylthiophen3yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC(C)C)N)C#N
InChI=1SC23H27N5OS4c15131014(21(3213)3062)1815(1124)20(25)28(1687917(29)19(16)18)22262723(3322)3112(3)4h101218H5925H214H3
MFCD05856996
ZINC000012413192
ZINC000012413194

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Available files

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