Vitas-M small molecule compound
propyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK442213
SMILES CCCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)[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 C20H21ClN2O5S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5S/c1-2-10-28-20(25)17-13-6-4-3-5-7-16(13)29-19(17)22-18(24)14-11-12(23(26)27)8-9-15(14)21/h8-9,11H,2-7,10H2,1H3,(H,22,24)InChIKey
VVSLQLBRIPYASS-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
CCCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)(N+)(=O)(O))sc2c1CCCCC2
InChI=1SC20H21ClN2O5Sc12102820(25)17136435716(13)2919(17)2218(24)141112(23(26)27)8915(14)21h8911H2710H21H3(H2224)
MFCD01344944
propyl2(((2chloro5nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propyl2((2chloro5nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002737525
ZINC02737525
ZINC2737525
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