Vitas-M small molecule compound

N-{2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-[4-(propan-2-yl)phenyl]ethyl}-N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

Catalog ID
STL438877
SMILES Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccc(cc2)C(C)C)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 C33H34N4O4S MW 582.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O4S/c1-21(2)25-10-12-26(13-11-25)31(32(39)36-27-14-15-28-29(17-27)41-20-40-28)37(18-24-8-6-5-7-9-24)30(38)19-42-33-34-22(3)16-23(4)35-33/h5-17,21,31H,18-20H2,1-4H3,(H,36,39)
InChIKey
HGXMACLSLIYNGO-UHFFFAOYSA-N
Synonyms

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC=C(C=C3)C(C)C)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC33H34N4O4Sc121(2)25101226(131125)31(32(39)362714152829(1727)41204028)37(18248657924)30(38)1942333422(3)1623(4)3533h5172131H1820H214H3(H3639)
MFCD06243943
N(13BENZODIOXOL5YL)2(BENZYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2(4PROPAN2YLPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1(4(propan2yl)phenyl)ethyl)Nbenzyl2((46dimethylpyrimidin2yl)sulfanyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(NBENZYL2(46DIMETHYLPYRIMIDIN2YLTHIO)ACETAMIDO)2(4ISOPROPYLPHENYL)ACETAMIDE
ZINC000001407906
ZINC000001407908

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Available files

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