Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-(benzyl{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)butanamide
Catalog ID
STL446962
SMILES CCC(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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-4-21(25(32)29-20-10-11-22-23(13-20)34-16-33-22)30(14-19-8-6-5-7-9-19)24(31)15-35-26-27-17(2)12-18(3)28-26/h5-13,21H,4,14-16H2,1-3H3,(H,29,32)InChIKey
BKIYZFJCNDHZJL-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3)C(=O)CSC4=NC(=CC(=N4)C)C
InChI=1SC26H28N4O4Sc1421(25(32)292010112223(1320)34163322)30(14198657919)24(31)1535262717(2)1218(3)2826h51321H41416H213H3(H2932)
MFCD06243547
N(13benzodioxol5yl)2(benzyl(((46dimethylpyrimidin2yl)sulfanyl)acetyl)amino)butanamide
N(13BENZODIOXOL5YL)2(BENZYL(2((46DIMETHYL2PYRIMIDINYL)SULFANYL)ACETYL)AMINO)BUTANAMIDE
N(13BENZODIOXOL5YL)2(BENZYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)BUTANAMIDE
ZINC000001407233
ZINC000001407234
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