Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(cyclohex-3-en-1-yl)-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide
Catalog ID
STL446775
SMILES Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)C2CCC=CC2)Cc2ccccc2C)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 C31H34N4O4S MW 558.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N4O4S/c1-20-9-7-8-12-24(20)17-35(28(36)18-40-31-32-21(2)15-22(3)33-31)29(23-10-5-4-6-11-23)30(37)34-25-13-14-26-27(16-25)39-19-38-26/h4-5,7-9,12-16,23,29H,6,10-11,17-19H2,1-3H3,(H,34,37)InChIKey
RESXFIGTGVOVSK-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1CN(C(C2CCC=CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CSC5=NC(=CC(=N5)C)C
InChI=1SC31H34N4O4Sc1209781224(20)1735(28(36)1840313221(2)1522(3)3331)29(23105461123)30(37)342513142627(1625)39193826h457912162329H610111719H213H3(H3437)
MFCD06243962
N(13BENZODIOXOL5YL)2CYCLOHEX3EN1YL2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)ACETAMIDE
N(2(13benzodioxol5ylamino)1(cyclohex3en1yl)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2methylbenzyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(CYCLOHEX3ENYL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)ACETAMIDE
ZINC000001407932
ZINC000001407935
ZINC01407935
Check stock
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