Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL436501
SMILES O=C(NCc1ccc2c(c1)OCCCO2)CSc1nc(cc(=O)[nH]1)c1ccccc1
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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c26-20-12-17(16-5-2-1-3-6-16)24-22(25-20)30-14-21(27)23-13-15-7-8-18-19(11-15)29-10-4-9-28-18/h1-3,5-8,11-12H,4,9-10,13-14H2,(H,23,27)(H,24,25,26)InChIKey
ZNZAPFHWSUGWRY-UHFFFAOYSA-NSynonyms
C1COC2=C(C=C(C=C2)CNC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OC1
InChI=1SC22H21N3O4Sc26201217(165213616)2422(2520)301421(27)231315781819(1115)2910492818h13581112H49101314H2(H2327)(H242526)
MFCD27220946
N(34dihydro2H15benzodioxepin7ylmethyl)2((4oxo6phenyl1Hpyrimidin2yl)sulfanyl)acetamide
N(34dihydro2H15benzodioxepin7ylmethyl)2((6oxo4phenyl16dihydropyrimidin2yl)sulfanyl)acetamide
O=C(NCc1ccc2c(c1)OCCCO2)CSc1nc(cc(=O)(nH)1)c1ccccc1
ZINC000096325029
ZINC96325029
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