Vitas-M small molecule compound
ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Catalog ID
STK890572
SMILES CCOC(=O)C(Sc1ncnc2c1c(cn2c1ccc(cc1)OCC)c1ccccc1)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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-4-30-20-13-11-19(12-14-20)28-15-21(18-9-7-6-8-10-18)22-23(28)26-16-27-24(22)32-17(3)25(29)31-5-2/h6-17H,4-5H2,1-3H3InChIKey
LXPOJEAKUGCFTC-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SC(C)C(=O)OCC)C4=CC=CC=C4
ethyl2((7(4ethoxyphenyl)5phenyl7Hpyrrolo(23d)pyrimidin4yl)sulfanyl)propanoate
ETHYL2(7(4ETHOXYPHENYL)5PHENYLPYRROLO(23D)PYRIMIDIN4YL)SULFANYLPROPANOATE
ETHYL2(7(4ETHOXYPHENYL)5PHENYLPYRROLO(32E)PYRIMIDIN4YLTHIO)PROPANOATE
InChI=1SC25H25N3O3Sc143020131119(121420)281521(1897681018)2223(28)26162724(22)3217(3)25(29)3152h617H45H213H3
MFCD04453719
ZINC000003658780
ZINC000003658781
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