Vitas-M small molecule compound
ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK435474
SMILES CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(Cl)ccc1[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 C19H19ClN2O5S MW 422.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O5S/c1-2-27-19(24)16-12-6-4-3-5-7-15(12)28-18(16)21-17(23)13-10-11(20)8-9-14(13)22(25)26/h8-10H,2-7H2,1H3,(H,21,23)InChIKey
DWDOCAGDBHLVMJ-UHFFFAOYSA-NSynonyms
397290-70-9397290709
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(Cl)ccc1(N+)(=O)(O)
ethyl2(((5chloro2nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((5chloro2nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC19H19ClN2O5Sc122719(24)16126435715(12)2818(16)2117(23)131011(20)8914(13)22(25)26h810H27H21H3(H2123)
MFCD02927362
ZINC000000657143
ZINC00657143
ZINC657143
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