Vitas-M small molecule compound

N-{1-(cyclohex-3-en-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

Catalog ID
STL438809
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1scc(n1)c1ccccc1)C1CCC=CC1

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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 C33H35N5O3S2 MW 613.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N5O3S2/c1-22-18-23(2)35-33(34-22)43-21-30(39)38(19-29-37-28(20-42-29)24-10-6-4-7-11-24)31(25-12-8-5-9-13-25)32(40)36-26-14-16-27(41-3)17-15-26/h4-8,10-11,14-18,20,25,31H,9,12-13,19,21H2,1-3H3,(H,36,40)
InChIKey
IVHKSIKUTIUONT-UHFFFAOYSA-N
Synonyms

2(CYCLOHEX3ENYL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N((4PHENYLTHIAZOL2YL)METHYL)ACETAMIDO)N(4METHOXYPHENYL)ACETAMIDE
2CYCLOHEX3EN1YL2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4PHENYL13THIAZOL2YL)METHYL)AMINO)N(4METHOXYPHENYL)ACETAMIDE
CC1=CC(=NC(=N1)SCC(=O)N(CC2=NC(=CS2)C3=CC=CC=C3)C(C4CCC=CC4)C(=O)NC5=CC=C(C=C5)OC)C
InChI=1SC33H35N5O3S2c1221823(2)3533(3422)432130(39)38(19293728(204229)24106471124)31(25128591325)32(40)3626141627(413)171526h4810111418202531H912131921H213H3(H3640)
MFCD06241390
N(1(cyclohex3en1yl)2((4methoxyphenyl)amino)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N((4phenyl13thiazol2yl)methyl)acetamide
ZINC000008712472
ZINC000008712480

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.