Vitas-M small molecule compound
3,4-dihydroisoquinolin-2(1H)-yl{1-[(4-nitrophenyl)sulfonyl]piperidin-3-yl}methanone
Catalog ID
STK193869
SMILES O=C(N1CCc2c(C1)cccc2)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c25-21(22-13-11-16-4-1-2-5-17(16)14-22)18-6-3-12-23(15-18)30(28,29)20-9-7-19(8-10-20)24(26)27/h1-2,4-5,7-10,18H,3,6,11-15H2InChIKey
SNQDRNRMNIWWOO-UHFFFAOYSA-NSynonyms
524675-56-734DIHYDRO1HISOQUINOLIN2YL(1(4NITROPHENYL)SULFONYLPIPERIDIN3YL)METHANONE
34DIHYDROISOQUINOLIN2(1H)YL(1((4NITROPHENYL)SULFONYL)PIPERIDIN3YL)METHANONE
524675567
C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)N3CCC4=CC=CC=C4C3
InChI=1SC21H23N3O5Sc2521(22131116412517(16)1422)18631223(1518)30(2829)209719(81020)24(26)27h124571018H361115H2
MFCD03615923
O=C(N1CCc2c(C1)cccc2)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002786748
ZINC000002786749
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