Vitas-M small molecule compound
(2Z)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK580290
SMILES CCc1ccc(cc1)c1nc(c(s1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2)C
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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 C26H26N2O3S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3S/c1-3-17-5-7-18(8-6-17)26-28-16(2)25(32-26)22(29)15-21-20-14-24-23(30-11-4-12-31-24)13-19(20)9-10-27-21/h5-8,13-15,27H,3-4,9-12H2,1-2H3/b21-15-InChIKey
GZJLRCIXDCZGMY-QNGOZBTKSA-NSynonyms
892632-72-3(2Z)1(2(4ethylphenyl)4methyl13thiazol5yl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)ethanone
(2Z)1(2(4ethylphenyl)4methyl13thiazol5yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(Z)1(2(4ethylphenyl)4methylthiazol5yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
892632723
CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)C=C3C4=CC5=C(C=C4CCN3)OCCCO5)C
CCc1ccc(cc1)c1nc(c(s1)C(=O)C=C1NCCc2c1cc1OCCCOc1c2)C
InChI=1SC26H26N2O3Sc13175718(8617)262816(2)25(3226)22(29)152120142423(30114123124)1319(20)9102721h58131527H34912H212H3b2115
MFCD07638973
ZINC000009128626
ZINC09128626
ZINC9128626
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