Vitas-M small molecule compound
(2Z)-2-(3-chloro-5-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK029332
SMILES CCCCCCOc1ccc(cc1)OCCOc1c(Cl)cc(cc1OCC)/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 C32H33ClN2O5S MW 593.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33ClN2O5S/c1-3-5-6-9-16-38-23-12-14-24(15-13-23)39-17-18-40-30-25(33)19-22(20-28(30)37-4-2)21-29-31(36)35-27-11-8-7-10-26(27)34-32(35)41-29/h7-8,10-15,19-21H,3-6,9,16-18H2,1-2H3/b29-21-InChIKey
JITHQVUFPXVFBC-ANYBSYGZSA-NSynonyms
(2Z)2((3CHLORO5ETHOXY4(2(4HEXOXYPHENOXY)ETHOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(3CHLORO5ETHOXY4(2(4(HEXYLOXY)PHENOXY)ETHOXY)BENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
CCCCCCOC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)OCC
CCCCCCOc1ccc(cc1)OCCOc1c(Cl)cc(cc1OCC)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC32H33ClN2O5Sc13569163823121424(151323)391718403025(33)1922(2028(30)3742)212931(36)352711871026(27)3432(35)4129h7810151921H3691618H212H3b2921
MFCD02122846
STK029332
ZINC000097958131
ZINC97958131
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