Vitas-M small molecule compound
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide
Catalog ID
STL436500
SMILES O=C(CSc1nc(N)cc(=O)[nH]1)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 C16H18N4O4S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4S/c17-13-7-14(21)20-16(19-13)25-9-15(22)18-8-10-2-3-11-12(6-10)24-5-1-4-23-11/h2-3,6-7H,1,4-5,8-9H2,(H,18,22)(H3,17,19,20,21)InChIKey
IRHKAUGCWQZDRQ-UHFFFAOYSA-NSynonyms
2((4amino6oxo16dihydropyrimidin2yl)sulfanyl)N(34dihydro2H15benzodioxepin7ylmethyl)acetamide
2((6amino4oxo1Hpyrimidin2yl)sulfanyl)N(34dihydro2H15benzodioxepin7ylmethyl)acetamide
C1COC2=C(C=C(C=C2)CNC(=O)CSC3=NC(=O)C=C(N3)N)OC1
InChI=1SC16H18N4O4Sc1713714(21)2016(1913)25915(22)18810231112(610)245142311h2367H14589H2(H1822)(H317192021)
MFCD27221309
O=C(CSc1nc(N)cc(=O)(nH)1)NCc1ccc2c(c1)OCCCO2
ZINC000075448685
ZINC75448685
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