Vitas-M small molecule compound

propyl 2-{[(3-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK427645
SMILES CCCOC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc2c1CCCCC2

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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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-2-11-27-20(24)17-15-9-4-3-5-10-16(15)28-19(17)21-18(23)13-7-6-8-14(12-13)22(25)26/h6-8,12H,2-5,9-11H2,1H3,(H,21,23)
InChIKey
WZOSCDZZFFKSBS-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCCOC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc2c1CCCCC2
InChI=1SC20H22N2O5Sc12112720(24)171594351016(15)2819(17)2118(23)1376814(1213)22(25)26h6812H25911H21H3(H2123)
MFCD01338831
propyl2(((3nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propyl2((3nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002729582
ZINC02729582
ZINC2729582

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Available files

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