Vitas-M small molecule compound

3-{[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(2-hydroxy-5-methylphenyl)propanamide

Catalog ID
STK340271
SMILES O=C(Nc1cc(C)ccc1O)CCS(=O)(=O)c1nc(cc(n1)C(F)(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 C22H18F3N3O6S MW 509.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N3O6S/c1-12-2-4-16(29)15(8-12)26-20(30)6-7-35(31,32)21-27-14(10-19(28-21)22(23,24)25)13-3-5-17-18(9-13)34-11-33-17/h2-5,8-10,29H,6-7,11H2,1H3,(H,26,30)
InChIKey
AKCBXZGFWSUMTQ-UHFFFAOYSA-N
Synonyms
442863-03-8
3((4(13benzodioxol5yl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)N(2hydroxy5methylphenyl)propanamide
3((4(2HBENZO(34D)13DIOXOLEN5YL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)N(2HYDROXY5METHYLPHENYL)PROPANAMIDE
3(4(13BENZODIOXOL5YL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYLN(2HYDROXY5METHYLPHENYL)PROPANAMIDE
442863038
CC1=CC(=C(C=C1)O)NC(=O)CCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4
InChI=1SC22H18F3N3O6Sc1122416(29)15(812)2620(30)6735(3132)212714(1019(2821)22(2324)25)13351718(913)34113317h2581029H6711H21H3(H2630)
MFCD06164101
ZINC000003655016
ZINC03655016
ZINC3655016

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Available files

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