Vitas-M small molecule compound

ethyl 4-{[(6-tert-butyl-2-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate

Catalog ID
STK188359
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=C/c2cc(OC)ccc2OC)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 C31H36N2O5S MW 548.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O5S/c1-7-38-30(35)19-8-11-22(12-9-19)33-28(34)27-24-14-10-21(31(2,3)4)17-26(24)39-29(27)32-18-20-16-23(36-5)13-15-25(20)37-6/h8-9,11-13,15-16,18,21H,7,10,14,17H2,1-6H3,(H,33,34)/b32-18+
InChIKey
GBKCLLAVKCJNLE-KCSSXMTESA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N=CC4=C(C=CC(=C4)OC)OC
CCOC(=O)c1ccc(cc1)NC(=O)c1c(N=Cc2cc(OC)ccc2OC)sc2c1CCC(C2)C(C)(C)C
ethyl4(((6tertbutyl2(((E)(25dimethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
ethyl4((6tertbutyl2((E)(25dimethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
InChI=1SC31H36N2O5Sc173830(35)1981122(12919)3328(34)2724141021(31(23)4)1726(24)3929(27)3218201623(365)131525(20)376h89111315161821H7101417H216H3(H3334)b3218+
MFCD03616450
ZINC000097961043
ZINC000097961044

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Available files

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