Vitas-M small molecule compound

N-[1-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

Catalog ID
STL439120
SMILES Cc1nc(SCC(=O)N(C(c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCO3)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 C31H28N4O6S MW 584.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O6S/c1-19-12-20(2)33-31(32-19)42-16-28(36)35(15-21-6-4-3-5-7-21)29(22-8-10-24-26(13-22)40-17-38-24)30(37)34-23-9-11-25-27(14-23)41-18-39-25/h3-14,29H,15-18H2,1-2H3,(H,34,37)
InChIKey
XPQILTPMBXKPQF-UHFFFAOYSA-N
Synonyms

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC6=C(C=C5)OCO6)C
InChI=1SC31H28N4O6Sc1191220(2)3331(3219)421628(36)35(15216435721)29(228102426(1322)40173824)30(37)34239112527(1423)41183925h31429H1518H212H3(H3437)
MFCD06243988
N(1(13benzodioxol5yl)2(13benzodioxol5ylamino)2oxoethyl)Nbenzyl2((46dimethylpyrimidin2yl)sulfanyl)acetamide
N2BIS(13BENZODIOXOL5YL)2(BENZYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)ACETAMIDE
N2DI(BENZO(D)(13)DIOXOL5YL)2(NBENZYL2(46DIMETHYLPYRIMIDIN2YLTHIO)ACETAMIDO)ACETAMIDE
ZINC000001407999
ZINC000001408002

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Available files

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