Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-N-(4-chlorobenzyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL439076
SMILES Clc1ccc(cc1)CN(C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1)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 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(16-21-8-10-23(31)11-9-21)28(22-6-4-3-5-7-22)29(37)34-24-12-13-25-26(15-24)39-18-38-25/h3-15,28H,16-18H2,1-2H3,(H,34,37)InChIKey
CMHBVDKINCAWPA-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC30H27ClN4O4Sc1191420(2)3330(3219)401727(36)35(162181023(31)11921)28(226435722)29(37)342412132526(1524)39183825h31528H1618H212H3(H3437)
MFCD09958486
N(13BENZODIOXOL5YL)2((4CHLOROPHENYL)METHYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2PHENYLACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1phenylethyl)N(4chlorobenzyl)2((46dimethylpyrimidin2yl)sulfanyl)acetamide
ZINC000001407581
ZINC000001407582
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