Vitas-M small molecule compound
2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STK060020
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)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 C26H22BrN3O4S2 MW 584.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN3O4S2/c27-15-5-8-17(9-6-15)30-25(32)23-18-3-1-2-4-21(18)36-24(23)29-26(30)35-14-22(31)28-16-7-10-19-20(13-16)34-12-11-33-19/h5-10,13H,1-4,11-12,14H2,(H,28,31)InChIKey
GLCNIQPIGWSXSE-UHFFFAOYSA-NSynonyms
2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
2((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Br)SCC(=O)NC5=CC6=C(C=C5)OCCO6
InChI=1SC26H22BrN3O4S2c27155817(9615)3025(32)2318312421(18)3624(23)2926(30)351422(31)28167101920(1316)3412113319h51013H14111214H2(H2831)
MFCD03223109
O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
STK060020
ZINC000001275813
ZINC01275813
ZINC1275813
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