Vitas-M small molecule compound

ethyl 2-{[(4-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK427721
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCCCCC2

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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/c1-2-27-20(24)17-15-7-5-3-4-6-8-16(15)28-19(17)21-18(23)13-9-11-14(12-10-13)22(25)26/h9-12H,2-8H2,1H3,(H,21,23)
InChIKey
YSQUJDFHRFRCHQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc2c1CCCCCC2
ethyl2(((4nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H22N2O5Sc122720(24)171575346816(15)2819(17)2118(23)1391114(121013)22(25)26h912H28H21H3(H2123)
MFCD01355562
ZINC000001218018
ZINC01218018
ZINC1218018

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Available files

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