Vitas-M small molecule compound
ethyl 2-[(1'Z)-2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK791091
SMILES CCOC(=O)c1c(/N=C/2\NC3(CCCCC3)Cc3c2cccc3)sc2c1CCCC2
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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 C25H30N2O2S MW 422.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O2S/c1-2-29-24(28)21-19-12-6-7-13-20(19)30-23(21)26-22-18-11-5-4-10-17(18)16-25(27-22)14-8-3-9-15-25/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,26,27)InChIKey
HHFNPFUJXQKQTD-UHFFFAOYSA-NSynonyms
328089-09-4(E)ethyl2((24dihydro1Hspiro(cyclohexane13isoquinolin)1ylidene)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
328089094
CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4(CCCCC4)CC5=CC=CC=C53
CCOC(=O)c1c(N=C2NC3(CCCCC3)Cc3c2cccc3)sc2c1CCCC2
ethyl2((1Z)2Hspiro(cyclohexane13isoquinolin)1(4H)ylideneamino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(spiro(4Hisoquinoline31cyclohexane)1ylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H30N2O2Sc122924(28)211912671320(19)3023(21)26221811541017(18)1625(2722)148391525h451011H23691216H21H3(H2627)
MFCD01571508
ZINC000012413824
ZINC12413824
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