Vitas-M small molecule compound

(1S,5S)-3-[(Z)-(3-butyl-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
STL465699
SMILES CCCCN1C(=S)S/C(=C\N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O

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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/c1-2-3-7-21-18(24)16(26-19(21)25)12-20-9-13-8-14(11-20)15-5-4-6-17(23)22(15)10-13/h4-6,12-14H,2-3,7-11H2,1H3/b16-12-/t13-,14+/m0/s1
InChIKey
FDQNUJSHAAFABS-XKSMIVTLSA-N
Synonyms

(1S5S)3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(Z)3butyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methylene)2thioxothiazolidin4one
CCCCN1C(=O)C(=CN2CC3CC(C2)C4=CC=CC(=O)N4C3)SC1=S
CCCCN1C(=S)SC(=CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C1=O
InChI=1SC19H23N3O2S2c12372118(24)16(2619(21)25)1220913814(1120)1554617(23)22(15)1013h461214H23711H21H3b1612t1314+m1s1
ZINC000103787876
ZINC08764975
ZINC8764975

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Available files

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