Vitas-M small molecule compound
(2E)-1-(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Catalog ID
STK094897
SMILES COc1cccc2c1N(C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])C(c1c2c(=S)ss1)(C)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 C22H18N2O4S3 MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S3/c1-22(2)20-18(21(29)31-30-20)15-5-4-6-16(28-3)19(15)23(22)17(25)12-9-13-7-10-14(11-8-13)24(26)27/h4-12H,1-3H3/b12-9+InChIKey
JBPDKCFZPYJLNX-FMIVXFBMSA-NSynonyms
(2E)1(6METHOXY44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))3(4NITROPHENYL)PROP2EN1ONE
(2E)1(6METHOXY44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)3(4NITROPHENYL)PROP2EN1ONE
(E)1(6METHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)3(4NITROPHENYL)PROP2EN1ONE
CC1(C2=C(C3=C(N1C(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O))C(=CC=C3)OC)C(=S)SS2)C
COc1cccc2c1N(C(=O)C=Cc1ccc(cc1)(N+)(=O)(O))C(c1c2c(=S)ss1)(C)C
InChI=1SC22H18N2O4S3c122(2)2018(21(29)313020)1554616(283)19(15)23(22)17(25)1291371014(11813)24(26)27h412H13H3b129+
MFCD01795957
STK094897
ZINC000013895358
ZINC13895358
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