Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-2-{[(4-ethoxy-2-nitrophenyl)carbamothioyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK456835
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])NC(=S)Nc1sc(c(c1C(=O)OC)C)C(=O)N(CC)CC
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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 C21H26N4O6S2 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O6S2/c1-6-24(7-2)19(26)17-12(4)16(20(27)30-5)18(33-17)23-21(32)22-14-10-9-13(31-8-3)11-15(14)25(28)29/h9-11H,6-8H2,1-5H3,(H2,22,23,32)InChIKey
XIASPMBKBWUDBC-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)OCC)(N+)(=O)(O))C(=O)OC)C
CCOc1ccc(c(c1)(N+)(=O)(O))NC(=S)Nc1sc(c(c1C(=O)OC)C)C(=O)N(CC)CC
InChI=1SC21H26N4O6S2c1624(72)19(26)1712(4)16(20(27)305)18(3317)2321(32)221410913(3183)1115(14)25(28)29h911H68H215H3(H2222332)
methyl5(diethylcarbamoyl)2(((4ethoxy2nitrophenyl)carbamothioyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2((4ETHOXY2NITROPHENYL)CARBAMOTHIOYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2((((4ETHOXY2NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04220329
ZINC000016346304
ZINC16346304
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