Vitas-M small molecule compound
(2Z)-2-{3-ethoxy-4-[(3-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK129354
SMILES CCOc1cc(cc(c1OCc1cccc(c1)[N+](=O)[O-])CC=C)/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 C28H23N3O5S MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5S/c1-3-8-20-13-19(16-25-27(32)30-23-12-6-5-11-22(23)29-28(30)37-25)15-24(35-4-2)26(20)36-17-18-9-7-10-21(14-18)31(33)34/h3,5-7,9-16H,1,4,8,17H2,2H3/b25-16-InChIKey
KUKUOYJVQWWUOI-XYGWBWBKSA-NSynonyms
(2Z)2((3ETHOXY4((3NITROPHENYL)METHOXY)5PROP2ENYLPHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(3ETHOXY4((3NITROBENZYL)OXY)5(PROP2EN1YL)BENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
CCOC1=CC(=CC(=C1OCC2=CC(=CC=C2)(N+)(=O)(O))CC=C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
CCOc1cc(cc(c1OCc1cccc(c1)(N+)(=O)(O))CC=C)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC28H23N3O5Sc138201319(162527(32)302312651122(23)2928(30)3725)1524(3542)26(20)361718971021(1418)31(33)34h357916H14817H22H3b2516
MFCD03243574
ZINC000012631173
ZINC12631173
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