Vitas-M small molecule compound
(2Z)-2-{[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK160421
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1)[N+](=O)[O-]
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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 C23H18N4O4S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4S/c1-13-10-15(14(2)25(13)19-12-16(27(29)30)8-9-20(19)31-3)11-21-22(28)26-18-7-5-4-6-17(18)24-23(26)32-21/h4-12H,1-3H3/b21-11-InChIKey
PEVRPBHBDFSJBP-NHDPSOOVSA-NSynonyms
(2Z)2((1(2METHOXY5NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
(2Z)2((1(2METHOXY5NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
CC1=CC(=C(N1C2=C(C=CC(=C2)(N+)(=O)(O))OC)C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
COc1ccc(cc1n1c(C)cc(c1C)C=c1sc2n(c1=O)c1c(n2)cccc1)(N+)(=O)(O)
InChI=1SC23H18N4O4Sc1131015(14(2)25(13)191216(27(29)30)8920(19)313)112122(28)2618754617(18)2423(26)3221h412H13H3b2111
MFCD03707279
ZINC000009311744
ZINC09311744
ZINC9311744
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