Vitas-M small molecule compound
N-cyclopropyl-6-ethyl-2-{[(E)-{4-methoxy-3-[(4-methylbenzyl)oxy]phenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK333783
SMILES CCC1CCc2c(C1)sc(c2C(=O)NC1CC1)/N=C/c1ccc(c(c1)OCc1ccc(cc1)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 C30H34N2O3S MW 502.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O3S/c1-4-20-9-13-24-27(16-20)36-30(28(24)29(33)32-23-11-12-23)31-17-22-10-14-25(34-3)26(15-22)35-18-21-7-5-19(2)6-8-21/h5-8,10,14-15,17,20,23H,4,9,11-13,16,18H2,1-3H3,(H,32,33)/b31-17+InChIKey
HIBKBFZZDKIXCS-KBVAKVRCSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)N=CC4=CC(=C(C=C4)OC)OCC5=CC=C(C=C5)C
CCC1CCc2c(C1)sc(c2C(=O)NC1CC1)N=Cc1ccc(c(c1)OCc1ccc(cc1)C)OC
InChI=1SC30H34N2O3Sc14209132427(1620)3630(28(24)29(33)3223111223)311722101425(343)26(1522)3518217519(2)6821h58101415172023H4911131618H213H3(H3233)b3117+
MFCD03946131
Ncyclopropyl6ethyl2(((E)(4methoxy3((4methylbenzyl)oxy)phenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
Ncyclopropyl6ethyl2((E)(4methoxy3((4methylphenyl)methoxy)phenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000018196209
ZINC000018196211
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