Vitas-M small molecule compound
4-chloro-2-[2-(4-methylphenoxy)ethyl]-6-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-9-ium-2(3H)-ylidene)methyl]phenolate
Catalog ID
STL043503
SMILES Clc1cc(CCOc2ccc(cc2)C)c(c(c1)/C=c/1\sc2n(c1=O)c1c([nH+]2)cccc1)[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 C25H19ClN2O3S MW 462.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O3S/c1-15-6-8-19(9-7-15)31-11-10-16-12-18(26)13-17(23(16)29)14-22-24(30)28-21-5-3-2-4-20(21)27-25(28)32-22/h2-9,12-14,29H,10-11H2,1H3/b22-14-InChIKey
GYYLDFBVCVMVRN-HMAPJEAMSA-NSynonyms
(2Z)2((5CHLORO2HYDROXY3(2(4METHYLPHENOXY)ETHYL)PHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
4chloro2(2(4methylphenoxy)ethyl)6((Z)(3oxo(13)thiazolo(32a)benzimidazol9ium2(3H)ylidene)methyl)phenolate
CC1=CC=C(C=C1)OCCC2=C(C(=CC(=C2)Cl)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)O
Clc1cc(CCOc2ccc(cc2)C)c(c(c1)C=c1sc2n(c1=O)c1c((nH+)2)cccc1)(O)
InChI=1SC25H19ClN2O3Sc1156819(9715)311110161218(26)1317(23(16)29)142224(30)2821532420(21)2725(28)3222h29121429H1011H21H3b2214
MFCD02992118
ZINC000009041239
ZINC09041239
ZINC9041239
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