Vitas-M small molecule compound
(2Z)-2-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STL370005
SMILES COc1ccc(cc1Cl)n1c(C)cc(c1C)/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 C23H18ClN3O2S MW 435.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O2S/c1-13-10-15(14(2)26(13)16-8-9-20(29-3)17(24)12-16)11-21-22(28)27-19-7-5-4-6-18(19)25-23(27)30-21/h4-12H,1-3H3/b21-11-InChIKey
LQAPDKKUQUXRCS-NHDPSOOVSA-NSynonyms
(2Z)2((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(2Z)2((1(3CHLORO4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
CC1=CC(=C(N1C2=CC(=C(C=C2)OC)Cl)C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
COc1ccc(cc1Cl)n1c(C)cc(c1C)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC23H18ClN3O2Sc1131015(14(2)26(13)168920(293)17(24)1216)112122(28)2719754618(19)2523(27)3021h412H13H3b2111
MFCD05150334
ZINC000015009069
ZINC15009069
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