Vitas-M small molecule compound

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}acetamide

Catalog ID
STK255122
SMILES O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)COc1cc(C)ccc1C(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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-19(2)23-11-6-20(3)17-24(23)33-18-26(31)28-21-7-9-22(10-8-21)29-12-14-30(15-13-29)27(32)25-5-4-16-34-25/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,28,31)
InChIKey
YTXHCJAKFZRTSD-UHFFFAOYSA-N
Synonyms

2(5METHYL2(1METHYLETHYL)PHENOXY)N(4(4(THIOPHEN2YLCARBONYL)PIPERAZIN1YL)PHENYL)ACETAMIDE
2(5METHYL2(METHYLETHYL)PHENOXY)N(4(4(2THIENYLCARBONYL)PIPERAZINYL)PHENYL)ACETAMIDE
2(5methyl2(propan2yl)phenoxy)N(4(4(thiophen2ylcarbonyl)piperazin1yl)phenyl)acetamide
2(5METHYL2PROPAN2YLPHENOXY)N(4(4(THIOPHENE2CARBONYL)PIPERAZIN1YL)PHENYL)ACETAMIDE
CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4
InChI=1SC27H31N3O3Sc119(2)2311620(3)1724(23)331826(31)28217922(10821)29121430(151329)27(32)2554163425h411161719H121518H213H3(H2831)
MFCD03649821
ZINC000004109627
ZINC04109627
ZINC4109627

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.