Vitas-M small molecule compound
(1Z)-4,4,8-trimethyl-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Catalog ID
STL510618
SMILES S=C1NC(=O)/C(=C\2/C(=O)N3c4c2cc(C)cc4C(=CC3(C)C)CSc2nnc(s2)C)/S1
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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 C21H18N4O2S4 MW 486.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2S4/c1-9-5-12-11(8-29-20-24-23-10(2)30-20)7-21(3,4)25-15(12)13(6-9)14(18(25)27)16-17(26)22-19(28)31-16/h5-7H,8H2,1-4H3,(H,22,26,28)/b16-14-InChIKey
FFOCIMXVVJNCPM-PEZBUJJGSA-NSynonyms
(1Z)448trimethyl6(((5methyl134thiadiazol2yl)sulfanyl)methyl)1(4oxo2thioxo13thiazolidin5ylidene)4Hpyrrolo(321ij)quinolin2(1H)one
(5~(Z))2sulfanylidene5(61111trimethyl9((5methyl134thiadiazol2yl)sulfanylmethyl)2oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen3ylidene)13thiazolidin4one
134717261
InChI=1SC21H18N4O2S4c1951211(82920242310(2)3020)721(34)2515(12)13(69)14(18(25)27)1617(26)2219(28)3116h57H8H214H3(H222628)b1614
MFCD31711567
ZINC001554503105
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