Vitas-M small molecule compound

(3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone

Catalog ID
STK046876
SMILES O=C(N1c2ccccc2C(CC1(C)C)C)c1sc2c(c1Cl)ccc(c2)[N+](=O)[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 C21H19ClN2O3S MW 414.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O3S/c1-12-11-21(2,3)23(16-7-5-4-6-14(12)16)20(25)19-18(22)15-9-8-13(24(26)27)10-17(15)28-19/h4-10,12H,11H2,1-3H3
InChIKey
RCYNDAWMERDRRT-UHFFFAOYSA-N
Synonyms
371217-13-9
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)((4R)224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)METHANONE
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)((4S)224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)METHANONE
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)(224TRIMETHYL34DIHYDROQUINOLIN1(2H)YL)METHANONE
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)(224TRIMETHYL34DIHYDROQUINOLIN1YL)METHANONE
(3chloro6nitrobenzo(b)thiophen2yl)(224trimethyl34dihydroquinolin1(2H)yl)methanone
371217139
CC1CC(N(C2=CC=CC=C12)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl)(C)C
InChI=1SC21H19ClN2O3Sc1121121(23)23(16754614(12)16)20(25)1918(22)159813(24(26)27)1017(15)2819h41012H11H213H3
MFCD01796227
O=C(N1c2ccccc2C(CC1(C)C)C)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
STK046876
ZINC000001301496
ZINC000001301497

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.