Vitas-M small molecule compound
(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-1-(thiophen-2-yl)ethanone
Catalog ID
STK582388
SMILES O=C(c1cccs1)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C18H17NO3S MW 327.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO3S/c20-15(18-3-1-8-23-18)11-14-13-10-17-16(21-6-2-7-22-17)9-12(13)4-5-19-14/h1,3,8-11,19H,2,4-7H2/b14-11-InChIKey
MGCQVZDZJYBPOR-KAMYIIQDSA-NSynonyms
883951-36-8(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)1thiophen2ylethanone
(2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)1(thiophen2yl)ethanone
(Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)1(thiophen2yl)ethanone
883951368
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=CC=CS4)OC1
InChI=1SC18H17NO3Sc2015(183182318)111413101716(216272217)912(13)451914h1381119H247H2b1411
MFCD07638778
O=C(c1cccs1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000005422450
ZINC05422450
ZINC5422450
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