Vitas-M small molecule compound
3-chloro-N-(2-formyl-6,6-dimethylbicyclo[3.1.1]hept-2-en-3-yl)-1-benzothiophene-2-carboxamide
Catalog ID
STK550096
SMILES O=CC1=C(NC(=O)c2sc3c(c2Cl)cccc3)CC2CC1C2(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 C19H18ClNO2S MW 359.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClNO2S/c1-19(2)10-7-13(19)12(9-22)14(8-10)21-18(23)17-16(20)11-5-3-4-6-15(11)24-17/h3-6,9-10,13H,7-8H2,1-2H3,(H,21,23)InChIKey
YEBOKBCJJMWBPG-UHFFFAOYSA-NSynonyms
840455-26-73chloroN(2formyl66dimethylbicyclo(311)hept2en3yl)1benzothiophene2carboxamide
3chloroN(2formyl66dimethylbicyclo(311)hept2en3yl)benzo(b)thiophene2carboxamide
3CHLORON(4FORMYL66DIMETHYL3BICYCLO(311)HEPT3ENYL)1BENZOTHIOPHENE2CARBOXAMIDE
840455267
CC1(C2CC1C(=C(C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C=O)C
InChI=1SC19H18ClNO2Sc119(2)10713(19)12(922)14(810)2118(23)1716(20)11534615(11)2417h3691013H78H212H3(H2123)
MFCD03693865
ZINC000101020941
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