Vitas-M small molecule compound

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

Catalog ID
STL439123
SMILES COc1ccc(cc1)CN(C(c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2)C(=O)CSc1nc(C)cc(n1)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 C32H30N4O7S MW 614.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O7S/c1-19-12-20(2)34-32(33-19)44-16-29(37)36(15-21-4-8-24(39-3)9-5-21)30(22-6-10-25-27(13-22)42-17-40-25)31(38)35-23-7-11-26-28(14-23)43-18-41-26/h4-14,30H,15-18H2,1-3H3,(H,35,38)
InChIKey
WPSDRVQDKLMQHZ-UHFFFAOYSA-N
Synonyms

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)OC)C(C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC6=C(C=C5)OCO6)C
InChI=1SC32H30N4O7Sc1191220(2)3432(3319)441629(37)36(15214824(393)9521)30(226102527(1322)42174025)31(38)35237112628(1423)43184126h41430H1518H213H3(H3538)
MFCD06243991
N(1(13benzodioxol5yl)2(13benzodioxol5ylamino)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(4methoxybenzyl)acetamide
N2BIS(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4METHOXYPHENYL)METHYL)AMINO)ACETAMIDE
N2DI(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(4METHOXYBENZYL)ACETAMIDO)ACETAMIDE
ZINC000008713700
ZINC000008713702

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Available files

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