Vitas-M small molecule compound
ethyl 2-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK163041
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)c2c(C1=O)cccc2
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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 C27H25NO4S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO4S/c1-4-32-27(31)23-20-11-7-8-12-22(20)33-26(23)28-15(2)13-17(16(28)3)14-21-24(29)18-9-5-6-10-19(18)25(21)30/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3InChIKey
XJAOLXYSPKARII-UHFFFAOYSA-NSynonyms
353508-66-4353508664
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)C5=CC=CC=C5C4=O)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)c2c(C1=O)cccc2
ethyl2(3((13dioxo13dihydro2Hinden2ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((13dioxoinden2ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H25NO4Sc143227(31)232011781222(20)3326(23)2815(2)1317(16(28)3)142124(29)189561019(18)25(21)30h569101314H4781112H213H3
MFCD01824880
ZINC000002185143
ZINC02185143
ZINC2185143
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