Vitas-M small molecule compound
2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3-(3-methylbutyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093615
SMILES CC(CCn1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)nc2c(c1=O)[nH]c(c2)C)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 C24H30FN5O2S MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30FN5O2S/c1-16(2)8-9-30-23(32)22-20(14-17(3)26-22)27-24(30)33-15-21(31)29-12-10-28(11-13-29)19-6-4-18(25)5-7-19/h4-7,14,16,26H,8-13,15H2,1-3H3InChIKey
CATUBJZSVSPSMV-UHFFFAOYSA-NSynonyms
2((2(4(4fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl3(3methylbutyl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(4fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl3(3methylbutyl)5Hpyrrolo(32d)pyrimidin4one
CC(CCn1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)CCC(C)C
InChI=1SC24H30FN5O2Sc116(2)893023(32)2220(1417(3)2622)2724(30)331521(31)29121028(111329)196418(25)5719h47141626H81315H213H3
MFCD18787749
ZINC000067238164
ZINC67238164
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