Vitas-M small molecule compound

(2Z)-2-(4-{3-[5-methyl-2-(propan-2-yl)phenoxy]propoxy}benzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Catalog ID
STK064243
SMILES Cc1ccc(c(c1)OCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)c1c(n2)cccc1)C(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 C29H28N2O3S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3S/c1-19(2)23-14-9-20(3)17-26(23)34-16-6-15-33-22-12-10-21(11-13-22)18-27-28(32)31-25-8-5-4-7-24(25)30-29(31)35-27/h4-5,7-14,17-19H,6,15-16H2,1-3H3/b27-18-
InChIKey
RLDQFBLBHJJIIE-IMRQLAEWSA-N
Synonyms
827331-80-6
(2Z)2((4(3(5METHYL2PROPAN2YLPHENOXY)PROPOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(4(3(5METHYL2(PROPAN2YL)PHENOXY)PROPOXY)BENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
(Z)2(4(3(2isopropyl5methylphenoxy)propoxy)benzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
827331806
CC1=CC(=C(C=C1)C(C)C)OCCCOC2=CC=C(C=C2)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
Cc1ccc(c(c1)OCCCOc1ccc(cc1)C=c1sc2n(c1=O)c1c(n2)cccc1)C(C)C
InChI=1SC29H28N2O3Sc119(2)2314920(3)1726(23)34166153322121021(111322)182728(32)3125854724(25)3029(31)3527h457141719H61516H213H3b2718
MFCD04005310
STK064243
ZINC000009462232
ZINC09462232
ZINC9462232

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.