Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-1-[{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}(pyridin-3-ylmethyl)amino]cyclohexanecarboxamide
Catalog ID
STL438774
SMILES Cc1nc(SCC(=O)N(C2(CCCCC2)C(=O)Nc2ccc3c(c2)OCO3)Cc2cccnc2)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 C28H31N5O4S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O4S/c1-19-13-20(2)31-27(30-19)38-17-25(34)33(16-21-7-6-12-29-15-21)28(10-4-3-5-11-28)26(35)32-22-8-9-23-24(14-22)37-18-36-23/h6-9,12-15H,3-5,10-11,16-18H2,1-2H3,(H,32,35)InChIKey
RBNXEPJGOSUUQX-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C3(CCCCC3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC28H31N5O4Sc1191320(2)3127(3019)381725(34)33(16217612291521)28(104351128)26(35)3222892324(1422)37183623h691215H3510111618H212H3(H3235)
MFCD06243880
N(13benzodioxol5yl)1((((46dimethylpyrimidin2yl)sulfanyl)acetyl)(pyridin3ylmethyl)amino)cyclohexanecarboxamide
N(13BENZODIOXOL5YL)1((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)(PYRIDIN3YLMETHYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
N(BENZO(D)(13)DIOXOL5YL)1(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(PYRIDIN3YLMETHYL)ACETAMIDO)CYCLOHEXANECARBOXAMIDE
ZINC000008695666
ZINC8695666
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