Vitas-M small molecule compound

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-N-(2-chlorobenzyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

Catalog ID
STL446966
SMILES Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)Cc2ccccc2Cl)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 C30H27ClN4O4S MW 575.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4O4S/c1-19-14-20(2)33-30(32-19)40-17-27(36)35(16-22-10-6-7-11-24(22)31)28(21-8-4-3-5-9-21)29(37)34-23-12-13-25-26(15-23)39-18-38-25/h3-15,28H,16-18H2,1-2H3,(H,34,37)
InChIKey
LPJBGRMRDDJNMC-UHFFFAOYSA-N
Synonyms

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2Cl)C(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC30H27ClN4O4Sc1191420(2)3330(3219)401727(36)35(162210671124(22)31)28(218435921)29(37)342312132526(1523)39183825h31528H1618H212H3(H3437)
MFCD07773367
N(13BENZODIOXOL5YL)2((2CHLOROPHENYL)METHYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2PHENYLACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1phenylethyl)N(2chlorobenzyl)2((46dimethylpyrimidin2yl)sulfanyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(N(2CHLOROBENZYL)2(46DIMETHYLPYRIMIDIN2YLTHIO)ACETAMIDO)2PHENYLACETAMIDE
ZINC000001407238
ZINC000001407239

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Available files

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