Vitas-M small molecule compound
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Catalog ID
STK560447
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br
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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 C25H24BrN3O4S MW 542.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN3O4S/c26-18-4-1-16(2-5-18)21-15-34-24(27-21)19-13-17-3-6-22(31)20(23(17)33-25(19)32)14-29-9-7-28(8-10-29)11-12-30/h1-6,13,15,30-31H,7-12,14H2InChIKey
YPJFYNGLGKXNPR-UHFFFAOYSA-NSynonyms
489414-81-53(4(4bromophenyl)13thiazol2yl)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)2oxo2Hchromen7olate
C1CN(CC(NH+)1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC(=CS4)C5=CC=C(C=C5)Br)(O))CCO
InChI=1SC25H24BrN3O4Sc26184116(2518)21153424(2721)1913173622(31)20(23(17)3325(19)32)14299728(81029)111230h1613153031H71214H2
MFCD03296439
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br
ZINC000022575684
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