Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]prop-2-enamide
Catalog ID
STL036780
SMILES COc1ccc(cc1OC)/C=C/C(=O)NC(=S)Nc1c(C)cc(cc1[N+](=O)[O-])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 C20H21N3O5S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S/c1-12-9-13(2)19(15(10-12)23(25)26)22-20(29)21-18(24)8-6-14-5-7-16(27-3)17(11-14)28-4/h5-11H,1-4H3,(H2,21,22,24,29)/b8-6+InChIKey
PBUVTJMRDSTHAB-SOFGYWHQSA-NSynonyms
(2E)3(34dimethoxyphenyl)N((24dimethyl6nitrophenyl)carbamothioyl)prop2enamide
(E)3(34dimethoxyphenyl)N((24dimethyl6nitrophenyl)carbamothioyl)acrylamide
(E)3(34DIMETHOXYPHENYL)N((24DIMETHYL6NITROPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
412964046
CC1=CC(=C(C(=C1)(N+)(=O)(O))NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)C
COc1ccc(cc1OC)C=CC(=O)NC(=S)Nc1c(C)cc(cc1(N+)(=O)(O))C
InChI=1SC20H21N3O5Sc112913(2)19(15(1012)23(25)26)2220(29)2118(24)86145716(273)17(1114)284h511H14H3(H221222429)b86+
MFCD00339949
ZINC000003878135
ZINC03878135
ZINC3878135
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