Vitas-M small molecule compound
ethyl 2-({[(4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK743772
SMILES CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)c2c([nH]1)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 C21H21N3O4S2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S2/c1-2-28-20(27)12-7-3-5-9-14(12)22-16(25)11-29-21-23-18(26)17-13-8-4-6-10-15(13)30-19(17)24-21/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,22,25)(H,23,24,26)InChIKey
UZVYFXHISHHWFO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)c2c((nH)1)sc1c2CCCC1
ethyl2((((4oxo145678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl2((2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC21H21N3O4S2c122820(27)12735914(12)2216(25)1129212318(26)17138461015(13)3019(17)2421h3579H24681011H21H3(H2225)(H232426)
MFCD05860341
ZINC000012411179
ZINC12411179
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