Vitas-M small molecule compound
methyl 4-{[(6-methyl-2-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK385409
SMILES COc1cc(OC)c(cc1/C=N/c1sc2c(c1C(=O)Nc1ccc(cc1)C(=O)OC)CCC(C2)C)OC
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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 C28H30N2O6S MW 522.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6S/c1-16-6-11-20-24(12-16)37-27(29-15-18-13-22(34-3)23(35-4)14-21(18)33-2)25(20)26(31)30-19-9-7-17(8-10-19)28(32)36-5/h7-10,13-16H,6,11-12H2,1-5H3,(H,30,31)/b29-15+InChIKey
GFCCRGPRCDZWBV-WKULSOCRSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)C(=O)OC)N=CC4=CC(=C(C=C4OC)OC)OC
COc1cc(OC)c(cc1C=Nc1sc2c(c1C(=O)Nc1ccc(cc1)C(=O)OC)CCC(C2)C)OC
InChI=1SC28H30N2O6Sc1166112024(1216)3727(2915181322(343)23(354)1421(18)332)25(20)26(31)30199717(81019)28(32)365h7101316H61112H215H3(H3031)b2915+
methyl4(((6methyl2(((E)(245trimethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl4((6methyl2((E)(245trimethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD03103418
ZINC000015945894
ZINC000015945896
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