Vitas-M small molecule compound
N-(2-hydroxyethyl)-4-{[(3-methyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzamide
Catalog ID
STL079648
SMILES OCCNC(=O)c1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C)CCC3
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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 C20H21N3O3S2 MW 415.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S2/c1-23-19(26)16-14-3-2-4-15(14)28-18(16)22-20(23)27-11-12-5-7-13(8-6-12)17(25)21-9-10-24/h5-8,24H,2-4,9-11H2,1H3,(H,21,25)InChIKey
LUNBOUFFFFGCGV-UHFFFAOYSA-NSynonyms
327094-61-1327094611
CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NCCO)SC4=C2CCC4
InChI=1SC20H21N3O3S2c12319(26)161432415(14)2818(16)2220(23)2711125713(8612)17(25)2191024h5824H24911H21H3(H2125)
MFCD02659629
N(2hydroxyethyl)4(((3methyl4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)methyl)benzamide
N(2hydroxyethyl)4((2methyl1oxo78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanylmethyl)benzamide
ZINC000002684812
ZINC02684812
ZINC2684812
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