Vitas-M small molecule compound
2-[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
Catalog ID
STL093689
SMILES CCCCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nc2c(c1=O)[nH]c(c2)C
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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 C19H20ClFN4O2S MW 422.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClFN4O2S/c1-3-4-7-25-18(27)17-15(8-11(2)22-17)24-19(25)28-10-16(26)23-12-5-6-14(21)13(20)9-12/h5-6,8-9,22H,3-4,7,10H2,1-2H3,(H,23,26)InChIKey
CAATUQGNKJLRQR-UHFFFAOYSA-NSynonyms
2((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(3chloro4fluorophenyl)acetamide
2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(3chloro4fluorophenyl)acetamide
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl
CCCCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nc2c(c1=O)(nH)c(c2)C
InChI=1SC19H20ClFN4O2Sc13472518(27)1715(811(2)2217)2419(25)281016(26)23125614(21)13(20)912h568922H34710H212H3(H2326)
MFCD18787823
ZINC000067238427
ZINC67238427
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