Vitas-M small molecule compound
(1S,5R)-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL535151
SMILES CC(CN1C(=S)S/C(=C\N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O)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 C19H23N3O2S2 MW 389.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O2S2/c1-12(2)7-22-18(24)16(26-19(22)25)11-20-8-13-6-14(10-20)15-4-3-5-17(23)21(15)9-13/h3-5,11-14H,6-10H2,1-2H3/b16-11-/t13-,14+/m0/s1InChIKey
GEZHEUYLIGFUEF-FWUQKTEZSA-NSynonyms
(1S5R)3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(Z)3isobutyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methylene)2thioxothiazolidin4one
CC(CN1C(=S)SC(=CN2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C1=O)C
InChI=1SC19H23N3O2S2c112(2)72218(24)16(2619(22)25)1120813614(1020)1543517(23)21(15)913h351114H610H212H3b1611t1314+m0s1
MFCD09795277
ZINC000100789006
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