Vitas-M small molecule compound

N-{2-[(3,5-dimethoxyphenyl)amino]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide

Catalog ID
STK647029
SMILES COc1cc(NC(=O)CNC(=O)c2ccc3c(c2)sc(n3)n2cccc2)cc(c1)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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-29-16-10-15(11-17(12-16)30-2)24-20(27)13-23-21(28)14-5-6-18-19(9-14)31-22(25-18)26-7-3-4-8-26/h3-12H,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKey
XYJQCGQBZYNKIE-UHFFFAOYSA-N
Synonyms
1010881-01-2
1010881012
COC1=CC(=CC(=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)OC
InChI=1SC22H20N4O4Sc129161015(1117(1216)302)2420(27)132321(28)14561819(914)3122(2518)26734826h312H13H212H3(H2328)(H2427)
MFCD12201360
N(2((35dimethoxyphenyl)amino)2oxoethyl)2(1Hpyrrol1yl)13benzothiazole6carboxamide
N(2((35dimethoxyphenyl)amino)2oxoethyl)2(1Hpyrrol1yl)benzo(d)thiazole6carboxamide
N(2(35dimethoxyanilino)2oxoethyl)2pyrrol1yl13benzothiazole6carboxamide
ZINC000012389666
ZINC12389666

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Available files

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