Vitas-M small molecule compound
N-(4-bromophenyl)-6-tert-butyl-2-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385148
SMILES COc1cc(OC)c(cc1/C=N/c1sc2c(c1C(=O)Nc1ccc(cc1)Br)CCC(C2)C(C)(C)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 C29H33BrN2O4S MW 585.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33BrN2O4S/c1-29(2,3)18-7-12-21-25(14-18)37-28(26(21)27(33)32-20-10-8-19(30)9-11-20)31-16-17-13-23(35-5)24(36-6)15-22(17)34-4/h8-11,13,15-16,18H,7,12,14H2,1-6H3,(H,32,33)/b31-16+InChIKey
YISRZNUOSMSBDC-WCMJOSRZSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)N=CC4=CC(=C(C=C4OC)OC)OC
COc1cc(OC)c(cc1C=Nc1sc2c(c1C(=O)Nc1ccc(cc1)Br)CCC(C2)C(C)(C)C)OC
InChI=1SC29H33BrN2O4Sc129(23)187122125(1418)3728(26(21)27(33)322010819(30)91120)3116171323(355)24(366)1522(17)344h81113151618H71214H216H3(H3233)b3116+
MFCD03274023
N(4bromophenyl)6tertbutyl2(((E)(245trimethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
N(4bromophenyl)6tertbutyl2((E)(245trimethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000097964035
ZINC000097964036
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