Vitas-M small molecule compound

1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Catalog ID
STK074060
SMILES O=C(N1c2cc(C)c(cc2c2c(C1(C)C)ssc2=S)C)CSc1ncn[nH]1

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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 C18H18N4OS4 MW 434.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4OS4/c1-9-5-11-12(6-10(9)2)22(13(23)7-25-17-19-8-20-21-17)18(3,4)15-14(11)16(24)27-26-15/h5-6,8H,7H2,1-4H3,(H,19,20,21)
InChIKey
WLYXCVOMWKGGFI-UHFFFAOYSA-N
Synonyms
332019-58-6
1(4478tetramethyl1sulfanylidenedithiolo(34c)quinolin5yl)2(1H124triazol5ylsulfanyl)ethanone
1(4478tetramethyl1thioxo14dihydro5H(12)dithiolo(34c)quinolin5yl)2(1H124triazol5ylsulfanyl)ethanone
2((4H124triazol3yl)thio)1(4478tetramethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)ethanone
332019586
CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)CSC4=NC=NN4)(C)C)SSC3=S)C
InChI=1SC18H18N4OS4c1951112(610(9)2)22(13(23)72517198202117)18(34)1514(11)16(24)272615h568H7H214H3(H192021)
MFCD02219226
O=C(N1c2cc(C)c(cc2c2c(C1(C)C)ssc2=S)C)CSc1ncn(nH)1
O=C(N1c2cc(C)c(cc2c2c(C1(C)C)ssc2=S)C)CSc1nnc(nH)1
STK074060
ZINC000003770969
ZINC03770969
ZINC3770969

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.