Vitas-M small molecule compound
N,N-bis(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL079442
SMILES OCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3)CCO
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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 C21H23N3O4S2 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S2/c25-11-9-23(10-12-26)17(27)13-29-21-22-19-18(15-7-4-8-16(15)30-19)20(28)24(21)14-5-2-1-3-6-14/h1-3,5-6,25-26H,4,7-13H2InChIKey
BJMSBQKKGCJJAW-UHFFFAOYSA-NSynonyms
C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N(CCO)CCO)C4=CC=CC=C4
InChI=1SC21H23N3O4S2c2511923(101226)17(27)132921221918(1574816(15)3019)20(28)24(21)145213614h13562526H4713H2
MFCD02970076
NNbis(2hydroxyethyl)2((1oxo2phenyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)acetamide
NNbis(2hydroxyethyl)2((4oxo3phenyl3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002694952
ZINC02694952
ZINC2694952
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