Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamide

Catalog ID
STL144395
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1ncnc2c1[nH]cc2c1ccc(cc1)F

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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 C21H15FN4O3S MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN4O3S/c22-13-3-1-12(2-4-13)15-8-23-20-19(15)24-10-25-21(20)30-9-18(27)26-14-5-6-16-17(7-14)29-11-28-16/h1-8,10,23H,9,11H2,(H,26,27)
InChIKey
WQDCSLCSJVALKU-UHFFFAOYSA-N
Synonyms

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=C4C5=CC=C(C=C5)F
InChI=1SC21H15FN4O3Sc22133112(2413)158232019(15)24102521(20)30918(27)2614561617(714)29112816h181023H911H2(H2627)
MFCD20750651
N(13benzodioxol5yl)2((7(4fluorophenyl)5Hpyrrolo(32d)pyrimidin4yl)sulfanyl)acetamide
N13BENZODIOXOL5YL2((7(4FLUOROPHENYL)5HPYRROLO(32D)PYRIMIDIN4YL)THIO)ACETAMIDE
O=C(Nc1ccc2c(c1)OCO2)CSc1ncnc2c1(nH)cc2c1ccc(cc1)F
ZINC000071328180
ZINC71328180

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Available files

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