Vitas-M small molecule compound
2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3-(2-methylpropyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093551
SMILES CC(Cn1c(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 C23H28FN5O2S MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28FN5O2S/c1-15(2)13-29-22(31)21-19(12-16(3)25-21)26-23(29)32-14-20(30)28-10-8-27(9-11-28)18-6-4-17(24)5-7-18/h4-7,12,15,25H,8-11,13-14H2,1-3H3InChIKey
XPDWEMARCPKCQY-UHFFFAOYSA-NSynonyms
2((2(4(4fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl3(2methylpropyl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(4fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl3(2methylpropyl)5Hpyrrolo(32d)pyrimidin4one
CC(Cn1c(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)CC(C)C
InChI=1SC23H28FN5O2Sc115(2)132922(31)2119(1216(3)2521)2623(29)321420(30)2810827(91128)186417(24)5718h47121525H8111314H213H3
MFCD18787685
ZINC000067237799
ZINC67237799
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