Vitas-M small molecule compound
N-{2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-[4-(propan-2-yl)phenyl]ethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide
Catalog ID
STL438881
SMILES Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccc(cc2)C(C)C)Cc2ccccc2C)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 C34H36N4O4S MW 596.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N4O4S/c1-21(2)25-10-12-26(13-11-25)32(33(40)37-28-14-15-29-30(17-28)42-20-41-29)38(18-27-9-7-6-8-22(27)3)31(39)19-43-34-35-23(4)16-24(5)36-34/h6-17,21,32H,18-20H2,1-5H3,(H,37,40)InChIKey
NGYMIPHURCCDGM-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1CN(C(C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CSC5=NC(=CC(=N5)C)C
InChI=1SC34H36N4O4Sc121(2)25101226(131125)32(33(40)372814152930(1728)42204129)38(1827976822(27)3)31(39)1943343523(4)1624(5)3634h6172132H1820H215H3(H3740)
MFCD06243947
N(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)2(4PROPAN2YLPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1(4(propan2yl)phenyl)ethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2methylbenzyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)2(4ISOPROPYLPHENYL)ACETAMIDE
ZINC000003771794
ZINC000003771795
Check stock
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Check stock on Vitas-MAvailable files
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