Vitas-M small molecule compound

(2Z)-2-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Catalog ID
STK712098
SMILES COc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

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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 C29H27ClN2O4S MW 535.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O4S/c1-29(2,3)19-9-11-20(12-10-19)35-13-14-36-26-21(30)15-18(16-24(26)34-4)17-25-27(33)32-23-8-6-5-7-22(23)31-28(32)37-25/h5-12,15-17H,13-14H2,1-4H3/b25-17-
InChIKey
YISQBUGLALNCIZ-UQQQWYQISA-N
Synonyms

(2Z)2((4(2(4TERTBUTYLPHENOXY)ETHOXY)3CHLORO5METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(4(2(4tertbutylphenoxy)ethoxy)3chloro5methoxybenzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(E)2(4(2(4(tertbutyl)phenoxy)ethoxy)3chloro5methoxybenzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)OC
COc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC29H27ClN2O4Sc129(23)1991120(121019)351314362621(30)1518(1624(26)344)172527(33)3223865722(23)3128(32)3725h5121517H1314H214H3b2517
MFCD05975730
ZINC000097968528
ZINC97968528

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Available files

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