Vitas-M small molecule compound
methyl 2-(2,5-dimethyl-3-{(E)-[2-(thiophen-2-ylacetyl)hydrazinylidene]methyl}-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL367627
SMILES COC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=N/NC(=O)Cc1cccs1
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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 C23H25N3O3S2 MW 455.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S2/c1-14-11-16(13-24-25-20(27)12-17-7-6-10-30-17)15(2)26(14)22-21(23(28)29-3)18-8-4-5-9-19(18)31-22/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,25,27)/b24-13+InChIKey
LLIJSPLUHJPPKF-ZMOGYAJESA-NSynonyms
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)OC)C)C=NNC(=O)CC4=CC=CS4
COC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=NNC(=O)Cc1cccs1
InChI=1SC23H25N3O3S2c1141116(13242520(27)121776103017)15(2)26(14)2221(23(28)293)18845919(18)3122h67101113H458912H213H3(H2527)b2413+
methyl2(25dimethyl3((E)((2thiophen2ylacetyl)hydrazinylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(25dimethyl3((E)(2(thiophen2ylacetyl)hydrazinylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD06670050
ZINC000001105142
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