Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide
Catalog ID
STL438950
SMILES Clc1ccc(cc1)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1C)C(=O)Nc1ccc2c(c1)OCO2
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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 C31H29ClN4O4S MW 589.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O4S/c1-19-6-4-5-7-23(19)16-36(28(37)17-41-31-33-20(2)14-21(3)34-31)29(22-8-10-24(32)11-9-22)30(38)35-25-12-13-26-27(15-25)40-18-39-26/h4-15,29H,16-18H2,1-3H3,(H,35,38)InChIKey
IPGHJAGDVVNWGM-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1CN(C(C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CSC5=NC(=CC(=N5)C)C
InChI=1SC31H29ClN4O4Sc119645723(19)1636(28(37)1741313320(2)1421(3)3431)29(2281024(32)11922)30(38)352512132627(1525)40183926h41529H1618H213H3(H3538)
MFCD09958449
N(13BENZODIOXOL5YL)2(4CHLOROPHENYL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)ACETAMIDE
N(2(13benzodioxol5ylamino)1(4chlorophenyl)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2methylbenzyl)acetamide
ZINC000001407576
ZINC000001407577
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