Vitas-M small molecule compound
(1Z)-4-[4-(morpholin-4-ylsulfonyl)phenyl]-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butan-2-one
Catalog ID
STK573341
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1
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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 C26H30N2O6S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6S/c29-21(5-2-19-3-6-22(7-4-19)35(30,31)28-10-14-32-15-11-28)17-24-23-18-26-25(33-12-1-13-34-26)16-20(23)8-9-27-24/h3-4,6-7,16-18,27H,1-2,5,8-15H2/b24-17-InChIKey
NPCAECVMZIXMLD-ULJHMMPZSA-NSynonyms
883951-37-9(1Z)1(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)4(4morpholin4ylsulfonylphenyl)butan2one
(1Z)4(4(morpholin4ylsulfonyl)phenyl)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butan2one
(Z)4(4(morpholinosulfonyl)phenyl)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butan2one
883951379
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)CCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OC1
InChI=1SC26H30N2O6Sc2921(52193622(7419)35(3031)28101432151128)172423182625(33121133426)1620(23)892724h3467161827H125815H2b2417
MFCD07638832
O=C(C=C1NCCc2c1cc1OCCCOc1c2)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1
ZINC000013577066
ZINC13577066
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