Vitas-M small molecule compound

N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Catalog ID
STL059434
SMILES O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)NC(C)(C)C)CSc1nc2sc3c(c2c(=O)n1C)CCCC3

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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 C26H29N5O3S4 MW 587.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O3S4/c1-26(2,3)30-20(33)13-36-25-28-16-10-9-14(11-18(16)38-25)27-19(32)12-35-24-29-22-21(23(34)31(24)4)15-7-5-6-8-17(15)37-22/h9-11H,5-8,12-13H2,1-4H3,(H,27,32)(H,30,33)
InChIKey
NIOZXQQJODOZHO-UHFFFAOYSA-N
Synonyms

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C
InChI=1SC26H29N5O3S4c126(23)3020(33)133625281610914(1118(16)3825)2719(32)123524292221(23(34)31(24)4)15756817(15)3722h911H581213H214H3(H2732)(H3033)
MFCD03236119
N(2((2(tertbutylamino)2oxoethyl)sulfanyl)13benzothiazol6yl)2((3methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2(2(tertbutylamino)2oxoethyl)sulfanyl13benzothiazol6yl)2((3methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(tertbutyl)2((6(2((3methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzo(d)thiazol2yl)thio)acetamide
ZINC000001881613
ZINC01881613
ZINC1881613

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Available files

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