Vitas-M small molecule compound
6-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK665086
SMILES OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)c1nc2c(s1)cccc2
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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 C21H18N2O3S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S/c24-19(15-5-1-2-6-16(15)21(25)26)22-14-11-9-13(10-12-14)20-23-17-7-3-4-8-18(17)27-20/h1-4,7-12,15-16H,5-6H2,(H,22,24)(H,25,26)InChIKey
VMSDSBBNXNQGRD-UHFFFAOYSA-NSynonyms
6((4(13BENZOTHIAZOL2YL)ANILINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
6((4(13benzothiazol2yl)phenyl)carbamoyl)cyclohex3ene1carboxylicacid
C1C=CCC(C1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C(=O)O
InChI=1SC21H18N2O3Sc2419(15512616(15)21(25)26)221411913(101214)202317734818(17)2720h147121516H56H2(H2224)(H2526)
MFCD07800468
ZINC000004788654
ZINC000004788676
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