Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STK011842
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)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 C27H25N3O4S2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S2/c1-16-6-9-18(10-7-16)30-26(32)24-19-4-2-3-5-22(19)36-25(24)29-27(30)35-15-23(31)28-17-8-11-20-21(14-17)34-13-12-33-20/h6-11,14H,2-5,12-13,15H2,1H3,(H,28,31)
InChIKey
NHSOMWQEOGALAZ-UHFFFAOYSA-N
Synonyms
499124-19-5
499124195
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5)SC6=C3CCCC6
InChI=1SC27H25N3O4S2c1166918(10716)3026(32)2419423522(19)3625(24)2927(30)351523(31)28178112021(1417)3413123320h61114H25121315H21H3(H2831)
MFCD03224277
N(23dihydro14benzodioxin6yl)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(23dihydro14benzodioxin6yl)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(23dihydrobenzo(b)(14)dioxin6yl)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
STK011842
ZINC000001088250
ZINC01088250
ZINC1088250

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Available files

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