Vitas-M small molecule compound
ethyl 4-{[(6-tert-butyl-2-{[(E)-(4-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK188350
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=C/c2ccc(cc2)OC)sc2c1CCC(C2)C(C)(C)C
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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 C30H34N2O4S MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O4S/c1-6-36-29(34)20-9-12-22(13-10-20)32-27(33)26-24-16-11-21(30(2,3)4)17-25(24)37-28(26)31-18-19-7-14-23(35-5)15-8-19/h7-10,12-15,18,21H,6,11,16-17H2,1-5H3,(H,32,33)/b31-18+InChIKey
COGBQJFFEMFEGE-FDAWAROLSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N=CC4=CC=C(C=C4)OC
CCOC(=O)c1ccc(cc1)NC(=O)c1c(N=Cc2ccc(cc2)OC)sc2c1CCC(C2)C(C)(C)C
ethyl4(((6tertbutyl2(((E)(4methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
ethyl4((6tertbutyl2((E)(4methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
InChI=1SC30H34N2O4Sc163629(34)2091222(131020)3227(33)2624161121(30(23)4)1725(24)3728(26)31181971423(355)15819h71012151821H6111617H215H3(H3233)b3118+
MFCD03616449
ZINC000009907663
ZINC000009907664
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