Vitas-M small molecule compound
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK093699
SMILES O=C(c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Oc1ccc2c(c1)C(=CC(N2)(C)C)C
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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 C21H17ClN2O4S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O4S/c1-11-10-21(2,3)23-16-7-5-13(9-15(11)16)28-20(25)19-18(22)14-6-4-12(24(26)27)8-17(14)29-19/h4-10,23H,1-3H3InChIKey
WRNYAVHIBBYADB-UHFFFAOYSA-NSynonyms
332143-96-1(224TRIMETHYL1HQUINOLIN6YL)3CHLORO6NITRO1BENZOTHIOPHENE2CARBOXYLATE
(224TRIMETHYL1HQUINOLIN6YL)3CHLORO6NITROBENZOTHIOPHENE2CARBOXYLATE
224TRIMETHYL12DIHYDROQUINOLIN6YL3CHLORO6NITRO1BENZOTHIOPHENE2CARBOXYLATE
224trimethyl12dihydroquinolin6yl3chloro6nitrobenzo(b)thiophene2carboxylate
224TRIMETHYL612DIHYDROQUINOLYL3CHLORO6NITROBENZO(B)THIOPHENE2CARBOXYLATE
332143961
CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl)(C)C
InChI=1SC21H17ClN2O4Sc1111021(23)23167513(915(11)16)2820(25)1918(22)146412(24(26)27)817(14)2919h41023H13H3
MFCD01796033
O=C(c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))Oc1ccc2c(c1)C(=CC(N2)(C)C)C
STK093699
ZINC000002269960
ZINC02269960
ZINC2269960
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.