Vitas-M small molecule compound
3-[1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
Catalog ID
STK275960
SMILES CCOc1ccc(cc1)NC(=O)Cn1c(CCC(=O)O)ccc1c1cccs1
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-2-27-17-9-5-15(6-10-17)22-20(24)14-23-16(8-12-21(25)26)7-11-18(23)19-4-3-13-28-19/h3-7,9-11,13H,2,8,12,14H2,1H3,(H,22,24)(H,25,26)InChIKey
NZUFSLJJWFWANF-UHFFFAOYSA-NSynonyms
3(1(2((4ethoxyphenyl)amino)2oxoethyl)5(thiophen2yl)1Hpyrrol2yl)propanoicacid
3(1(2(4ethoxyanilino)2oxoethyl)5thiophen2ylpyrrol2yl)propanoicacid
CCOC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O
InChI=1SC21H22N2O4Sc1227179515(61017)2220(24)142316(81221(25)26)71118(23)1943132819h3791113H281214H21H3(H2224)(H2526)
MFCD05846966
ZINC000009094813
ZINC9094813
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