Vitas-M small molecule compound
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Catalog ID
STL436502
SMILES O=C(CSc1nc(N)cc(=O)[nH]1)NCc1cc2OCCCOc2cc1C
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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 C17H20N4O4S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O4S/c1-10-5-12-13(25-4-2-3-24-12)6-11(10)8-19-16(23)9-26-17-20-14(18)7-15(22)21-17/h5-7H,2-4,8-9H2,1H3,(H,19,23)(H3,18,20,21,22)InChIKey
QQKXPXXJKGRKFV-UHFFFAOYSA-NSynonyms
2((4amino6oxo16dihydropyrimidin2yl)sulfanyl)N((8methyl34dihydro2H15benzodioxepin7yl)methyl)acetamide
2((6amino4oxo1Hpyrimidin2yl)sulfanyl)N((8methyl34dihydro2H15benzodioxepin7yl)methyl)acetamide
CC1=CC2=C(C=C1CNC(=O)CSC3=NC(=O)C=C(N3)N)OCCCO2
InChI=1SC17H20N4O4Sc11051213(254232412)611(10)81916(23)926172014(18)715(22)2117h57H2489H21H3(H1923)(H318202122)
MFCD27221312
O=C(CSc1nc(N)cc(=O)(nH)1)NCc1cc2OCCCOc2cc1C
ZINC000096325041
ZINC96325041
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