Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-ethyl-1,3-thiazolidine-2,4-dione
Catalog ID
STK155066
SMILES CCN1C(=O)S/C(=C/c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-4-19-17(22)16(26-18(19)23)9-13-8-11(2)20(12(13)3)14-6-5-7-15(10-14)21(24)25/h5-10H,4H2,1-3H3/b16-9+InChIKey
BYDGLAHLEAVLSC-CXUHLZMHSA-NSynonyms
(5E)5((25DIMETHYL1(3NITROPHENYL)1HPYRROL3YL)METHYLIDENE)3ETHYL13THIAZOLIDINE24DIONE
(5E)5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)3ETHYL13THIAZOLIDINE24DIONE
CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)(N+)(=O)(O))C)SC1=O
CCN1C(=O)SC(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C1=O
InChI=1SC18H17N3O4Sc141917(22)16(2618(19)23)913811(2)20(12(13)3)1465715(1014)21(24)25h510H4H213H3b169+
MFCD03923372
ZINC000004687971
ZINC04687971
ZINC4687971
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