Vitas-M small molecule compound
2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Catalog ID
STK306149
SMILES FC(Oc1ccc(cc1)c1ccnc(n1)SCC(=O)c1ccc2c(c1)OCCO2)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 C21H16F2N2O4S MW 430.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F2N2O4S/c22-20(23)29-15-4-1-13(2-5-15)16-7-8-24-21(25-16)30-12-17(26)14-3-6-18-19(11-14)28-10-9-27-18/h1-8,11,20H,9-10,12H2InChIKey
XPEVHKSYQFLDCJ-UHFFFAOYSA-NSynonyms
828275-22-52((4(4(difluoromethoxy)phenyl)pyrimidin2yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
2(4(4(DIFLUOROMETHOXY)PHENYL)PYRIMIDIN2YL)SULFANYL1(23DIHYDRO14BENZODIOXIN6YL)ETHANONE
828275225
C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)OC(F)F
InChI=1SC21H16F2N2O4Sc2220(23)29154113(2515)16782421(2516)301217(26)14361819(1114)281092718h181120H91012H2
MFCD04129601
ZINC000002788816
ZINC02788816
ZINC2788816
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