Vitas-M small molecule compound
2-cyanobenzyl 2-chloro-5-{5-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL376740
SMILES N#Cc1ccccc1COC(=O)c1cc(ccc1Cl)c1ccc(o1)/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 C29H16ClN3O4S MW 537.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H16ClN3O4S/c30-22-11-9-17(13-21(22)28(35)36-16-19-6-2-1-5-18(19)15-31)25-12-10-20(37-25)14-26-27(34)33-24-8-4-3-7-23(24)32-29(33)38-26/h1-14H,16H2/b26-14-InChIKey
CMBLMTAHRGDBSM-WGARJPEWSA-NSynonyms
(2CYANOPHENYL)METHYL2CHLORO5(5((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)FURAN2YL)BENZOATE
2cyanobenzyl2chloro5(5((Z)(3oxo(13)thiazolo(32a)benzimidazol2(3H)ylidene)methyl)furan2yl)benzoate
C1=CC=C(C(=C1)COC(=O)C2=C(C=CC(=C2)C3=CC=C(O3)C=C4C(=O)N5C6=CC=CC=C6N=C5S4)Cl)C#N
InChI=1SC29H16ClN3O4Sc302211917(1321(22)28(35)361619621518(19)1531)25121020(3725)142627(34)3324843723(24)3229(33)3826h114H16H2b2614
MFCD07435722
N#Cc1ccccc1COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=c1sc2n(c1=O)c1c(n2)cccc1
ZINC000100167814
ZINC100167814
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