Vitas-M small molecule compound
6-tert-butyl-N-(3-chlorophenyl)-2-{[(E)-(3-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385142
SMILES COc1cccc(c1)/C=N/c1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCC(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 C27H29ClN2O2S MW 481.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O2S/c1-27(2,3)18-11-12-22-23(14-18)33-26(29-16-17-7-5-10-21(13-17)32-4)24(22)25(31)30-20-9-6-8-19(28)15-20/h5-10,13,15-16,18H,11-12,14H2,1-4H3,(H,30,31)/b29-16+InChIKey
KDAPDUCFCAPECW-MUFRIFMGSA-NSynonyms
6tertbutylN(3chlorophenyl)2(((E)(3methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(3chlorophenyl)2((E)(3methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)N=CC4=CC(=CC=C4)OC
COc1cccc(c1)C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCC(C2)C(C)(C)C
InChI=1SC27H29ClN2O2Sc127(23)1811122223(1418)3326(291617751021(1317)324)24(22)25(31)302096819(28)1520h51013151618H111214H214H3(H3031)b2916+
MFCD03616455
ZINC000015946131
ZINC000015946133
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