Vitas-M small molecule compound
7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(prop-2-en-1-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179508
SMILES C=CCn1c(S)nc(=O)c2c1nc(cc2C(F)F)c1ccc2c(c1)OCO2
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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 C18H13F2N3O3S MW 389.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13F2N3O3S/c1-2-5-23-16-14(17(24)22-18(23)27)10(15(19)20)7-11(21-16)9-3-4-12-13(6-9)26-8-25-12/h2-4,6-7,15H,1,5,8H2,(H,22,24,27)InChIKey
ANZGSDRVQBDQGV-UHFFFAOYSA-NSynonyms
7(13benzodioxol5yl)5(difluoromethyl)1(prop2en1yl)2sulfanylpyrido(23d)pyrimidin4(1H)one
7(13benzodioxol5yl)5(difluoromethyl)1prop2enyl2sulfanylidenepyrido(23d)pyrimidin4one
C=CCN1C2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(F)F)C(=O)NC1=S
InChI=1SC18H13F2N3O3Sc125231614(17(24)2218(23)27)10(15(19)20)711(2116)9341213(69)2682512h246715H158H2(H222427)
MFCD09473166
ZINC000020615600
ZINC20615600
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