Vitas-M small molecule compound
5-chloro-2-methoxy-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)benzamide
Catalog ID
STK435847
SMILES COc1ccc(cc1C(=O)Nn1c(S)nc2c(c1=O)c1CCCc1s2)Cl
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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 C17H14ClN3O3S2 MW 407.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O3S2/c1-24-11-6-5-8(18)7-10(11)14(22)20-21-16(23)13-9-3-2-4-12(9)26-15(13)19-17(21)25/h5-7H,2-4H2,1H3,(H,19,25)(H,20,22)InChIKey
SQKVSFSGGUQKKT-UHFFFAOYSA-NSynonyms
5chloro2methoxyN(1oxo3sulfanylidene4678tetrahydrocyclopenta(23)thieno(24b)pyrimidin2yl)benzamide
5chloro2methoxyN(4oxo2sulfanyl67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)benzamide
COC1=C(C=C(C=C1)Cl)C(=O)NN2C(=O)C3=C(NC2=S)SC4=C3CCC4
InChI=1SC17H14ClN3O3S2c12411658(18)710(11)14(22)202116(23)13932412(9)2615(13)1917(21)25h57H24H21H3(H1925)(H2022)
MFCD03944117
ZINC000017087808
ZINC17087808
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