Vitas-M small molecule compound
ethyl 4-[({[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)methyl]benzoate
Catalog ID
STL079551
SMILES CCOC(=O)c1ccc(cc1)CNC(=O)CSc1[nH]c(=O)c2c(n1)sc1c2CCC1
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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)13-8-6-12(7-9-13)10-22-16(25)11-29-21-23-18(26)17-14-4-3-5-15(14)30-19(17)24-21/h6-9H,2-5,10-11H2,1H3,(H,22,25)(H,23,24,26)InChIKey
ZZCOKQQKZJBRTH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2
CCOC(=O)c1ccc(cc1)CNC(=O)CSc1(nH)c(=O)c2c(n1)sc1c2CCC1
ethyl4(((((4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)benzoate
ethyl4(((2((1oxo2678tetrahydrocyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)acetyl)amino)methyl)benzoate
InChI=1SC21H21N3O4S2c122820(27)138612(7913)102216(25)1129212318(26)171443515(14)3019(17)2421h69H251011H21H3(H2225)(H232426)
MFCD03621088
ZINC000002695368
ZINC02695368
ZINC2695368
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