Vitas-M small molecule compound
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093472
SMILES O=C(CSc1nc2cc([nH]c2c(=O)n1c1ccc(cc1)F)C)NCCC1=CCCCC1
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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 C23H25FN4O2S MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN4O2S/c1-15-13-19-21(26-15)22(30)28(18-9-7-17(24)8-10-18)23(27-19)31-14-20(29)25-12-11-16-5-3-2-4-6-16/h5,7-10,13,26H,2-4,6,11-12,14H2,1H3,(H,25,29)InChIKey
NFYVICKYXUPOFT-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCCC3=CCCCC3)C4=CC=C(C=C4)F
InChI=1SC23H25FN4O2Sc115131921(2615)22(30)28(189717(24)81018)23(2719)311420(29)251211165324616h57101326H246111214H21H3(H2529)
MFCD18787606
N(2(cyclohex1en1yl)ethyl)2((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(2(cyclohexen1yl)ethyl)2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)F)C)NCCC1=CCCCC1
ZINC000067237336
ZINC67237336
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