Vitas-M small molecule compound

(2E)-13-acetyl-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one

Catalog ID
STL175970
SMILES COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=c\1/sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)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 C30H23Cl3N2O5S MW 629.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Cl3N2O5S/c1-15(36)25-26-19-6-4-5-7-23(19)40-30(25,2)34-29-35(26)28(37)24(41-29)11-16-8-9-22(38-3)17(10-16)14-39-27-20(32)12-18(31)13-21(27)33/h4-13,25-26H,14H2,1-3H3/b24-11+
InChIKey
QDIYTDCLESPBNC-BHGWPJFGSA-N
Synonyms
1025249-18-6
(2E)13acetyl2(4methoxy3((246trichlorophenoxy)methyl)benzylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025249186
CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC(=C(C=C5)OC)COC6=C(C=C(C=C6Cl)Cl)Cl)S4)C
COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C
InChI=1SC30H23Cl3N2O5Sc115(36)252619645723(19)4030(252)342935(26)28(37)24(4129)11168922(383)17(1016)14392720(32)1218(31)1321(27)33h4132526H14H213H3b2411+
MFCD03467107
ZINC000150663329
ZINC000150663330

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Available files

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