Vitas-M small molecule compound
methyl 4-[({[3-(4-fluorophenyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL103808
SMILES COC(=O)c1ccc(cc1)NC(=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 C23H19FN4O4S MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN4O4S/c1-13-11-18-20(25-13)21(30)28(17-9-5-15(24)6-10-17)23(27-18)33-12-19(29)26-16-7-3-14(4-8-16)22(31)32-2/h3-11,25H,12H2,1-2H3,(H,26,29)InChIKey
YQTNDESTZBNXNC-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)F
COC(=O)c1ccc(cc1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)F)C
InChI=1SC23H19FN4O4Sc113111820(2513)21(30)28(179515(24)61017)23(2718)331219(29)26167314(4816)22(31)322h31125H12H212H3(H2629)
methyl4((((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
MFCD20735410
ZINC000067237489
ZINC67237489
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