Vitas-M small molecule compound
methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
Catalog ID
STK890636
SMILES CCC(C(=O)OC)Sc1ncnc2c1c(cn2c1cccc(c1)F)c1ccccc1
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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 C23H20FN3O2S MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O2S/c1-3-19(23(28)29-2)30-22-20-18(15-8-5-4-6-9-15)13-27(21(20)25-14-26-22)17-11-7-10-16(24)12-17/h4-14,19H,3H2,1-2H3InChIKey
NMCSEQFWCHTRAZ-UHFFFAOYSA-NSynonyms
CCC(C(=O)OC)SC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)F)C4=CC=CC=C4
InChI=1SC23H20FN3O2Sc1319(23(28)292)30222018(158546915)1327(21(20)25142622)171171016(24)1217h41419H3H212H3
methyl2((7(3fluorophenyl)5phenyl7Hpyrrolo(23d)pyrimidin4yl)sulfanyl)butanoate
METHYL2(7(3FLUOROPHENYL)5PHENYLPYRROLO(23D)PYRIMIDIN4YL)SULFANYLBUTANOATE
METHYL2(7(3FLUOROPHENYL)5PHENYLPYRROLO(32E)PYRIMIDIN4YLTHIO)BUTANOATE
MFCD04453649
ZINC000003658697
ZINC000003658698
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