Vitas-M small molecule compound
methyl 2-{[(4-ethoxy-2-nitrophenyl)carbamothioyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK455985
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])NC(=S)Nc1sc(c(c1C(=O)OC)CC)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 C18H21N3O5S2 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S2/c1-5-12-10(3)28-16(15(12)17(22)25-4)20-18(27)19-13-8-7-11(26-6-2)9-14(13)21(23)24/h7-9H,5-6H2,1-4H3,(H2,19,20,27)InChIKey
RTCNLJQHDWSEEK-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)OCC)(N+)(=O)(O))C
CCOc1ccc(c(c1)(N+)(=O)(O))NC(=S)Nc1sc(c(c1C(=O)OC)CC)C
InChI=1SC18H21N3O5S2c151210(3)2816(15(12)17(22)254)2018(27)19138711(2662)914(13)21(23)24h79H56H214H3(H2192027)
METHYL2((((4ETHOXY2NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((4ethoxy2nitrophenyl)carbamothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2((4ETHOXY2NITROPHENYL)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD04227423
ZINC000016346243
ZINC16346243
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