Vitas-M small molecule compound
4-methyl-3-nitro-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)benzamide
Catalog ID
STK436325
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nn1c(S)nc2c(c1=O)c1CCCc1s2
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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 C17H14N4O4S2 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O4S2/c1-8-5-6-9(7-11(8)21(24)25)14(22)19-20-16(23)13-10-3-2-4-12(10)27-15(13)18-17(20)26/h5-7H,2-4H2,1H3,(H,18,26)(H,19,22)InChIKey
CQWCWXKLUMQCCW-UHFFFAOYSA-NSynonyms
4methyl3nitroN(1oxo3sulfanylidene4678tetrahydrocyclopenta(23)thieno(24b)pyrimidin2yl)benzamide
4methyl3nitroN(4oxo2sulfanyl67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)benzamide
CC1=C(C=C(C=C1)C(=O)NN2C(=O)C3=C(NC2=S)SC4=C3CCC4)(N+)(=O)(O)
InChI=1SC17H14N4O4S2c18569(711(8)21(24)25)14(22)192016(23)131032412(10)2715(13)1817(20)26h57H24H21H3(H1826)(H1922)
MFCD03944082
O=C(c1ccc(c(c1)(N+)(=O)(O))C)Nn1c(S)nc2c(c1=O)c1CCCc1s2
ZINC000017082386
ZINC17082386
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