Vitas-M small molecule compound
ethyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK451593
SMILES CCOC(=O)c1cc(sc1NC(=O)c1ccc(cc1[N+](=O)[O-])Cl)C(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 C17H17ClN2O5S MW 396.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O5S/c1-4-25-17(22)12-8-14(9(2)3)26-16(12)19-15(21)11-6-5-10(18)7-13(11)20(23)24/h5-9H,4H2,1-3H3,(H,19,21)InChIKey
OCIPZACIVUWXJS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O)
CCOC(=O)c1cc(sc1NC(=O)c1ccc(cc1(N+)(=O)(O))Cl)C(C)C
ethyl2(((4chloro2nitrophenyl)carbonyl)amino)5(propan2yl)thiophene3carboxylate
ETHYL2((4CHLORO2NITROBENZOYL)AMINO)5ISOPROPYLTHIOPHENE3CARBOXYLATE
ETHYL2((4CHLORO2NITROBENZOYL)AMINO)5PROPAN2YLTHIOPHENE3CARBOXYLATE
ETHYL2((4CHLORO2NITROPHENYL)CARBONYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
InChI=1SC17H17ClN2O5Sc142517(22)12814(9(2)3)2616(12)1915(21)116510(18)713(11)20(23)24h59H4H213H3(H1921)
MFCD02607123
ZINC000000676022
ZINC00676022
ZINC676022
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