Vitas-M small molecule compound
N-(4-bromophenyl)-6-tert-butyl-2-{[(E)-(4-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385146
SMILES COc1ccc(cc1)/C=N/c1sc2c(c1C(=O)Nc1ccc(cc1)Br)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 C27H29BrN2O2S MW 525.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN2O2S/c1-27(2,3)18-7-14-22-23(15-18)33-26(29-16-17-5-12-21(32-4)13-6-17)24(22)25(31)30-20-10-8-19(28)9-11-20/h5-6,8-13,16,18H,7,14-15H2,1-4H3,(H,30,31)/b29-16+InChIKey
COSRVIXWPYEBKM-MUFRIFMGSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)N=CC4=CC=C(C=C4)OC
COc1ccc(cc1)C=Nc1sc2c(c1C(=O)Nc1ccc(cc1)Br)CCC(C2)C(C)(C)C
InChI=1SC27H29BrN2O2Sc127(23)187142223(1518)3326(29161751221(324)13617)24(22)25(31)302010819(28)91120h568131618H71415H214H3(H3031)b2916+
MFCD03274021
N(4bromophenyl)6tertbutyl2(((E)(4methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
N(4bromophenyl)6tertbutyl2((E)(4methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000015946441
ZINC000015946442
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