Vitas-M small molecule compound
N-benzyl-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093466
SMILES O=C(NCc1ccccc1)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 C22H19FN4O2S MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O2S/c1-14-11-18-20(25-14)21(29)27(17-9-7-16(23)8-10-17)22(26-18)30-13-19(28)24-12-15-5-3-2-4-6-15/h2-11,25H,12-13H2,1H3,(H,24,28)InChIKey
XNUXWDYIWFQCCH-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)F
InChI=1SC22H19FN4O2Sc114111820(2514)21(29)27(179716(23)81017)22(2618)301319(28)2412155324615h21125H1213H21H3(H2428)
MFCD18787600
Nbenzyl2((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
Nbenzyl2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(NCc1ccccc1)CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)F)C
ZINC000067237277
ZINC67237277
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