Vitas-M small molecule compound
1-butyl-N-[(2E)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Catalog ID
STK851764
SMILES CCCCn1c(=O)c(C(=O)/N=c/2\[nH]c3c(s2)cc(cc3)Cl)c(c2c1cccc2)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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c1-2-3-10-25-15-7-5-4-6-13(15)18(26)17(20(25)28)19(27)24-21-23-14-9-8-12(22)11-16(14)29-21/h4-9,11,26H,2-3,10H2,1H3,(H,23,24,27)InChIKey
RAWZQAJAGNFDSN-UHFFFAOYSA-NSynonyms
423145-78-21butylN((2E)6chloro13benzothiazol2(3H)ylidene)4hydroxy2oxo12dihydroquinoline3carboxamide
1BUTYLN(6CHLORO13BENZOTHIAZOL2YL)2HYDROXY4OXOQUINOLINE3CARBOXAMIDE
1butylN(6chloro13benzothiazol2yl)4hydroxy2oxoquinoline3carboxamide
423145782
CCCCn1c(=O)c(C(=O)N=c2(nH)c3c(s2)cc(cc3)Cl)c(c2c1cccc2)O
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)O
InChI=1SC21H18ClN3O3Sc123102515754613(15)18(26)17(20(25)28)19(27)242123149812(22)1116(14)2921h491126H2310H21H3(H232427)
MFCD07206176
ZINC000100658481
ZINC100658481
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