Vitas-M small molecule compound

methyl 5-(diethylcarbamoyl)-2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-4-methylthiophene-3-carboxylate

Catalog ID
STK457556
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)NNC(=O)C(n1nc(c(c1)[N+](=O)[O-])OC)C)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 C20H27N7O7S2 MW 541.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N7O7S2/c1-7-25(8-2)18(29)14-10(3)13(19(30)34-6)17(36-14)21-20(35)23-22-15(28)11(4)26-9-12(27(31)32)16(24-26)33-5/h9,11H,7-8H2,1-6H3,(H,22,28)(H2,21,23,35)
InChIKey
LRLVKERABWQKIK-UHFFFAOYSA-N
Synonyms

CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)NNC(=O)C(n1nc(c(c1)(N+)(=O)(O))OC)C)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C(C)N2C=C(C(=N2)OC)(N+)(=O)(O))C(=O)OC)C
InChI=1SC20H27N7O7S2c1725(82)18(29)1410(3)13(19(30)346)17(3614)2120(35)232215(28)11(4)26912(27(31)32)16(2426)335h911H78H216H3(H2228)(H2212335)
methyl5(diethylcarbamoyl)2(((2(2(3methoxy4nitro1Hpyrazol1yl)propanoyl)hydrazinyl)carbonothioyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2((2(3METHOXY4NITROPYRAZOL1YL)PROPANOYLAMINO)CARBAMOTHIOYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2((((2(3METHOXY4NITROPYRAZOLYL)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05076170
ZINC000059603476
ZINC000059603478

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.