Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(cyclohex-3-en-1-yl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL446771
SMILES Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)C2CCC=CC2)Cc2ccccc2)nc(c1)C
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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 C30H32N4O4S MW 544.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O4S/c1-20-15-21(2)32-30(31-20)39-18-27(35)34(17-22-9-5-3-6-10-22)28(23-11-7-4-8-12-23)29(36)33-24-13-14-25-26(16-24)38-19-37-25/h3-7,9-10,13-16,23,28H,8,11-12,17-19H2,1-2H3,(H,33,36)InChIKey
IAEFLNLSKCYMMD-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3CCC=CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC30H32N4O4Sc1201521(2)3230(3120)391827(35)34(172295361022)28(23117481223)29(36)332413142526(1624)38193725h3791013162328H811121719H212H3(H3336)
MFCD06243958
N(13BENZODIOXOL5YL)2(BENZYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2CYCLOHEX3EN1YLACETAMIDE
N(2(13benzodioxol5ylamino)1(cyclohex3en1yl)2oxoethyl)Nbenzyl2((46dimethylpyrimidin2yl)sulfanyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(NBENZYL2(46DIMETHYLPYRIMIDIN2YLTHIO)ACETAMIDO)2(CYCLOHEX3ENYL)ACETAMIDE
ZINC000001407921
ZINC000001407927
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