Vitas-M small molecule compound
2-methoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STK063699
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])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 C19H18N2O5S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5S/c1-25-17-12-13(18(27)20-9-2-3-10-20)7-8-16(17)26-19(22)14-5-4-6-15(11-14)21(23)24/h4-8,11-12H,2-3,9-10H2,1H3InChIKey
ADARNTYAMLWASJ-UHFFFAOYSA-NSynonyms
(2METHOXY4(PYRROLIDINE1CARBOTHIOYL)PHENYL)3NITROBENZOATE
2METHOXY4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL3NITROBENZOATE
COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C(=S)N1CCCC1
InChI=1SC19H18N2O5Sc125171213(18(27)209231020)7816(17)2619(22)1454615(1114)21(23)24h481112H23910H21H3
MFCD03711902
STK063699
ZINC000001163075
ZINC01163075
ZINC1163075
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