Vitas-M small molecule compound
2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK880486
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-31-19-11-8-17(9-12-19)10-13-22(29)28-25-23(20-6-2-3-7-21(20)32-25)24(30)27-16-18-5-4-14-26-15-18/h4-5,8-15H,2-3,6-7,16H2,1H3,(H,27,30)(H,28,29)/b13-10+InChIKey
ZKDQUBKHXMXRRH-JLHYYAGUSA-NSynonyms
609796-19-22(((2E)3(4methoxyphenyl)prop2enoyl)amino)N(pyridin3ylmethyl)4567tetrahydro1benzothiophene3carboxamide
2(((E)3(4methoxyphenyl)prop2enoyl)amino)N(pyridin3ylmethyl)4567tetrahydro1benzothiophene3carboxamide
609796192
COC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4
COc1ccc(cc1)C=CC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2
InChI=1SC25H25N3O3Sc1311911817(91219)101322(29)282523(20623721(20)3225)24(30)2716185414261518h45815H236716H21H3(H2730)(H2829)b1310+
MFCD03717788
ZINC000001119942
ZINC01119942
ZINC1119942
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