Vitas-M small molecule compound
ethyl 4-{[(4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetyl]amino}benzoate
Catalog ID
STL080455
SMILES CCOC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c(c1=O)sc1c2cccc1
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-2-28-21(27)13-7-9-14(10-8-13)23-17(25)11-24-12-22-18-15-5-3-4-6-16(15)29-19(18)20(24)26/h3-10,12H,2,11H2,1H3,(H,23,25)InChIKey
MKDJDINFPXHDNQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC4=CC=CC=C43
ethyl4(((4oxo(1)benzothieno(32d)pyrimidin3(4H)yl)acetyl)amino)benzoate
ethyl4((2(4oxo(1)benzothiolo(32d)pyrimidin3yl)acetyl)amino)benzoate
InChI=1SC21H17N3O4Sc122821(27)137914(10813)2317(25)112412221815534616(15)2919(18)20(24)26h31012H211H21H3(H2325)
MFCD18201219
ZINC000045942811
ZINC45942811
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