Vitas-M small molecule compound
2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385154
SMILES Brc1ccc(cc1)NC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCC(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 C27H27BrN2O3S MW 539.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O3S/c1-27(2,3)17-5-10-20-23(13-17)34-26(24(20)25(31)30-19-8-6-18(28)7-9-19)29-14-16-4-11-21-22(12-16)33-15-32-21/h4,6-9,11-12,14,17H,5,10,13,15H2,1-3H3,(H,30,31)/b29-14+InChIKey
PTLVGGKSKXFCNF-IPPBACCNSA-NSynonyms
2(((E)13benzodioxol5ylmethylidene)amino)N(4bromophenyl)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
2((E)13benzodioxol5ylmethylideneamino)N(4bromophenyl)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
Brc1ccc(cc1)NC(=O)c1c(N=Cc2ccc3c(c2)OCO3)sc2c1CCC(C2)C(C)(C)C
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)N=CC4=CC5=C(C=C4)OCO5
InChI=1SC27H27BrN2O3Sc127(23)175102023(1317)3426(24(20)25(31)30198618(28)7919)2914164112122(1216)33153221h46911121417H5101315H213H3(H3031)b2914+
MFCD03274030
ZINC000097964039
ZINC000097964040
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