Vitas-M small molecule compound
methyl 4-{[(2-{[(E)-(3-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK385392
SMILES COc1cccc(c1)/C=N/c1sc2c(c1C(=O)Nc1ccc(cc1)C(=O)OC)CCCC2
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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 C25H24N2O4S MW 448.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O4S/c1-30-19-7-5-6-16(14-19)15-26-24-22(20-8-3-4-9-21(20)32-24)23(28)27-18-12-10-17(11-13-18)25(29)31-2/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,27,28)/b26-15+InChIKey
BBKFIXLRMXOYLI-CVKSISIWSA-NSynonyms
COC1=CC=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=C(C=C4)C(=O)OC
COc1cccc(c1)C=Nc1sc2c(c1C(=O)Nc1ccc(cc1)C(=O)OC)CCCC2
InChI=1SC25H24N2O4Sc1301975616(1419)15262422(20834921(20)3224)23(28)2718121017(111318)25(29)312h571015H3489H212H3(H2728)b2615+
methyl4(((2(((E)(3methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl4((2((E)(3methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD03103386
ZINC000015945836
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