Vitas-M small molecule compound

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]acetamide

Catalog ID
STK833679
SMILES COc1cc(CCN(C(=O)C)/C=C/2\Sc3c(C2=O)cccc3)ccc1OC

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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 C21H21NO4S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4S/c1-14(23)22(11-10-15-8-9-17(25-2)18(12-15)26-3)13-20-21(24)16-6-4-5-7-19(16)27-20/h4-9,12-13H,10-11H2,1-3H3/b20-13-
InChIKey
BROREELEBJHSBL-MOSHPQCFSA-N
Synonyms
297762-67-5
(Z)N(34dimethoxyphenethyl)N((3oxobenzo(b)thiophen2(3H)ylidene)methyl)acetamide
297762675
CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C=C2C(=O)C3=CC=CC=C3S2
COc1cc(CCN(C(=O)C)C=C2Sc3c(C2=O)cccc3)ccc1OC
InChI=1SC21H21NO4Sc114(23)22(1110158917(252)18(1215)263)132021(24)16645719(16)2720h491213H1011H213H3b2013
MFCD00355408
N(2(34dimethoxyphenyl)ethyl)N((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)acetamide
N(2(34DIMETHOXYPHENYL)ETHYL)N((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)ACETAMIDE
N(2(34DIMETHOXYPHENYL)ETHYL)N(3OXO3HBENZO(B)THIOPHEN(2Z)YLIDENEMETHYL)ACETAMIDE
ZINC000013108072
ZINC13108072

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Available files

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