Vitas-M small molecule compound

N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Catalog ID
STK838547
SMILES COc1cc(ccc1OC)/C=C(/C(=O)NCCc1c[nH]c2c1cccc2)\NC(=O)c1cccs1

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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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-32-22-10-9-17(15-23(22)33-2)14-21(29-26(31)24-8-5-13-34-24)25(30)27-12-11-18-16-28-20-7-4-3-6-19(18)20/h3-10,13-16,28H,11-12H2,1-2H3,(H,27,30)(H,29,31)/b21-14-
InChIKey
KSUWXOCGKXAIBH-STZFKDTASA-N
Synonyms

(2Z)3(34DIMETHOXYPHENYL)N(2INDOL3YLETHYL)2(2THIENYLCARBONYLAMINO)PROP2ENAMIDE
(Z)N(3((2(1Hindol3yl)ethyl)amino)1(34dimethoxyphenyl)3oxoprop1en2yl)thiophene2carboxamide
COC1=C(C=C(C=C1)C=C(C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)OC
COc1cc(ccc1OC)C=C(C(=O)NCCc1c(nH)c2c1cccc2)NC(=O)c1cccs1
InChI=1SC26H25N3O4Sc1322210917(1523(22)332)1421(2926(31)2485133424)25(30)27121118162820743619(18)20h310131628H1112H212H3(H2730)(H2931)b2114
MFCD02998207
N((1Z)1(34dimethoxyphenyl)3((2(1Hindol3yl)ethyl)amino)3oxoprop1en2yl)thiophene2carboxamide
N((Z)1(34DIMETHOXYPHENYL)3(2(1HINDOL3YL)ETHYLAMINO)3OXOPROP1EN2YL)THIOPHENE2CARBOXAMIDE
ZINC000001857048
ZINC01857048
ZINC1857048

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Available files

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