Vitas-M small molecule compound
2-ethoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK098405
SMILES CCOc1cc(ccc1OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C(=S)N1CCCC1
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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 C20H19ClN2O5S MW 434.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O5S/c1-2-27-18-12-13(19(29)22-9-3-4-10-22)6-8-17(18)28-20(24)14-5-7-15(21)16(11-14)23(25)26/h5-8,11-12H,2-4,9-10H2,1H3InChIKey
FJNUAEZJRLHKHI-UHFFFAOYSA-NSynonyms
(2ETHOXY4(PYRROLIDINE1CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
2ETHOXY4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=S)N1CCCC1
InChI=1SC20H19ClN2O5Sc1227181213(19(29)229341022)6817(18)2820(24)145715(21)16(1114)23(25)26h581112H24910H21H3
MFCD02904285
STK098405
ZINC000009762161
ZINC09762161
ZINC9762161
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