Vitas-M small molecule compound

7-methoxy-4,4-dimethyl-1-[(4-nitrobenzyl)sulfanyl]-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium

Catalog ID
STL169631
SMILES COc1ccc2c(c1)NC(c1c2c(SCc2ccc(cc2)[N+](=O)[O-])[s+]s1)(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 C20H19N2O3S3 MW 431.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N2O3S3/c1-20(2)18-17(15-9-8-14(25-3)10-16(15)21-20)19(28-27-18)26-11-12-4-6-13(7-5-12)22(23)24/h4-10,21H,11H2,1-3H3/q+1
InChIKey
HRVXZLATSANMFB-UHFFFAOYSA-N
Synonyms

(7METHOXY44DIMETHYL5HDITHIOLO(34C)QUINOLIN1YLIDENE)((4NITROPHENYL)METHYL)SULFANIUM
7methoxy44dimethyl1((4nitrobenzyl)sulfanyl)45dihydro(12)dithiolo(34c)quinolin2ium
CC1(C2=C(C3=C(N1)C=C(C=C3)OC)C(=(S+)CC4=CC=C(C=C4)(N+)(=O)(O))SS2)C
COc1ccc2c(c1)NC(c1c2c(SCc2ccc(cc2)(N+)(=O)(O))(s+)s1)(C)C
InChI=1SC20H19N2O3S3c120(2)1817(159814(253)1016(15)2120)19(282718)2611124613(7512)22(23)24h41021H11H213H3q+1
MFCD00643458
ZINC000008763947
ZINC08763947
ZINC8763947

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Available files

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