Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL446773
SMILES Fc1ccc(cc1)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1)C(=O)Nc1ccc2c(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 C30H27FN4O4S MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27FN4O4S/c1-19-14-20(2)33-30(32-19)40-17-27(36)35(16-21-6-4-3-5-7-21)28(22-8-10-23(31)11-9-22)29(37)34-24-12-13-25-26(15-24)39-18-38-25/h3-15,28H,16-18H2,1-2H3,(H,34,37)InChIKey
VYWZAALDJPNVLY-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC30H27FN4O4Sc1191420(2)3330(3219)401727(36)35(16216435721)28(2281023(31)11922)29(37)342412132526(1524)39183825h31528H1618H212H3(H3437)
MFCD06243960
N(13BENZODIOXOL5YL)2(BENZYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2(4FLUOROPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)1(4fluorophenyl)2oxoethyl)Nbenzyl2((46dimethylpyrimidin2yl)sulfanyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(NBENZYL2(46DIMETHYLPYRIMIDIN2YLTHIO)ACETAMIDO)2(4FLUOROPHENYL)ACETAMIDE
ZINC000001407928
ZINC000001407929
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