Vitas-M small molecule compound
methyl 4-{[(2-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK385377
SMILES COC(=O)c1ccc(cc1)NC(=O)c1c(/N=C/c2cccc(c2OC)OC)sc2c1CCC(C2)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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-16-8-13-20-22(14-16)35-26(28-15-18-6-5-7-21(32-2)24(18)33-3)23(20)25(30)29-19-11-9-17(10-12-19)27(31)34-4/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,29,30)/b28-15+InChIKey
IKIIIYMXKBBMFA-RWPZCVJISA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)C(=O)OC)N=CC4=C(C(=CC=C4)OC)OC
COC(=O)c1ccc(cc1)NC(=O)c1c(N=Cc2cccc(c2OC)OC)sc2c1CCC(C2)C
InChI=1SC27H28N2O5Sc1168132022(1416)3526(28151865721(322)24(18)333)23(20)25(30)291911917(101219)27(31)344h579121516H81314H214H3(H2930)b2815+
methyl4(((2(((E)(23dimethoxyphenyl)methylidene)amino)6methyl4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl4((2((E)(23dimethoxyphenyl)methylideneamino)6methyl4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD03103417
ZINC000015945890
ZINC000015945892
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