Vitas-M small molecule compound
ethyl 1-({[3-(4-fluorophenyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Catalog ID
STL103812
SMILES CCOC(=O)C1CCN(CC1)C(=O)CSc1nc2cc([nH]c2c(=O)n1c1ccc(cc1)F)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 C23H25FN4O4S MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN4O4S/c1-3-32-22(31)15-8-10-27(11-9-15)19(29)13-33-23-26-18-12-14(2)25-20(18)21(30)28(23)17-6-4-16(24)5-7-17/h4-7,12,15,25H,3,8-11,13H2,1-2H3InChIKey
VGDMFQNIQWZBDA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)F)C
CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC(=C3)C
ethyl1(((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)piperidine4carboxylate
ethyl1(2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)piperidine4carboxylate
InChI=1SC23H25FN4O4Sc133222(31)1581027(11915)19(29)13332326181214(2)2520(18)21(30)28(23)176416(24)5717h47121525H381113H212H3
MFCD20735414
ZINC000067237508
ZINC67237508
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