Vitas-M small molecule compound
(3Z)-3-[2-(azepan-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]-1-methyl-5-nitro-1,3-dihydro-2H-indol-2-one
Catalog ID
STK980358
SMILES O=C1N=C(S/C/1=C\1/c2cc(ccc2N(C1=O)C)[N+](=O)[O-])N1CCCCCC1
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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 C18H18N4O4S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S/c1-20-13-7-6-11(22(25)26)10-12(13)14(17(20)24)15-16(23)19-18(27-15)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3/b15-14-InChIKey
AIIYUXMPPOUYDM-PFONDFGASA-NSynonyms
(3Z)3(2(azepan1yl)4oxo13thiazol5(4H)ylidene)1methyl5nitro13dihydro2Hindol2one
(5Z)2(AZEPAN1YL)5(1METHYL5NITRO2OXOINDOL3YLIDENE)13THIAZOL4ONE
CN1C2=C(C=C(C=C2)(N+)(=O)(O))C(=C3C(=O)N=C(S3)N4CCCCCC4)C1=O
InChI=1SC18H18N4O4Sc120137611(22(25)26)1012(13)14(17(20)24)1516(23)1918(2715)2184235921h6710H2589H21H3b1514
MFCD05988263
O=C1N=C(SC1=C1c2cc(ccc2N(C1=O)C)(N+)(=O)(O))N1CCCCCC1
ZINC000005059699
ZINC05059699
ZINC5059699
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