Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL430259
SMILES O=C(CSc1nc2sc(c(c2c(=O)n1c1ccccc1)C)C)NCc1ccc2c(c1)OCCCO2
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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 C26H25N3O4S2 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S2/c1-16-17(2)35-24-23(16)25(31)29(19-7-4-3-5-8-19)26(28-24)34-15-22(30)27-14-18-9-10-20-21(13-18)33-12-6-11-32-20/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,27,30)InChIKey
JJSSJNXYORHYSJ-UHFFFAOYSA-NSynonyms
CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5)C
InChI=1SC26H25N3O4S2c11617(2)352423(16)25(31)29(197435819)26(2824)341522(30)2714189102021(1318)33126113220h3571013H611121415H212H3(H2730)
MFCD27221190
N(34dihydro2H15benzodioxepin7ylmethyl)2((56dimethyl4oxo3phenyl34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(34dihydro2H15benzodioxepin7ylmethyl)2(56dimethyl4oxo3phenylthieno(23d)pyrimidin2yl)sulfanylacetamide
ZINC000064987201
ZINC64987201
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