Vitas-M small molecule compound
(1Z)-8-methoxy-6-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,4-dimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Catalog ID
STL510614
SMILES COc1cc2C(=CC(N3c2c(c1)/C(=C\1/SC(=S)NC1=O)/C3=O)(C)C)CSc1nnc(o1)c1ccc(cc1)OC
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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 C27H22N4O5S3 MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5S3/c1-27(2)11-14(12-38-25-30-29-23(36-25)13-5-7-15(34-3)8-6-13)17-9-16(35-4)10-18-19(24(33)31(27)20(17)18)21-22(32)28-26(37)39-21/h5-11H,12H2,1-4H3,(H,28,32,37)/b21-19-InChIKey
OFYWHHHJLLWFCN-VZCXRCSSSA-NSynonyms
(1Z)8methoxy6(((5(4methoxyphenyl)134oxadiazol2yl)sulfanyl)methyl)44dimethyl1(4oxo2thioxo13thiazolidin5ylidene)4Hpyrrolo(321ij)quinolin2(1H)one
(5~(Z))5(6methoxy9((5(4methoxyphenyl)134oxadiazol2yl)sulfanylmethyl)1111dimethyl2oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen3ylidene)2sulfanylidene13thiazolidin4one
134717257
InChI=1SC27H22N4O5S3c127(2)1114(123825302923(3625)135715(343)8613)17916(354)101819(24(33)31(27)20(17)18)2122(32)2826(37)3921h511H12H214H3(H283237)b2119
MFCD31711563
ZINC001554503201
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