Vitas-M small molecule compound
methyl 2-[({2-[(2,4-difluorophenyl)carbamothioyl]hydrazinyl}carbonothioyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK455912
SMILES COC(=O)c1c(NC(=S)NNC(=S)Nc2ccc(cc2F)F)sc(c1CC)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 C17H18F2N4O2S3 MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F2N4O2S3/c1-4-10-8(2)28-14(13(10)15(24)25-3)21-17(27)23-22-16(26)20-12-6-5-9(18)7-11(12)19/h5-7H,4H2,1-3H3,(H2,20,22,26)(H2,21,23,27)InChIKey
QCHQFBQVJYQVDT-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F)C
InChI=1SC17H18F2N4O2S3c14108(2)2814(13(10)15(24)253)2117(27)232216(26)2012659(18)711(12)19h57H4H213H3(H2202226)(H2212327)
METHYL2(((2(((24DIFLUOROPHENYL)AMINO)THIOXOMETHYL)HYDRAZINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((2((24difluorophenyl)carbamothioyl)hydrazinyl)carbonothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2(((2((24DIFLUOROPHENYL)CARBAMOTHIOYL)HYDRAZINYL)CARBOTHIOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
METHYL2(((24DIFLUOROPHENYL)CARBAMOTHIOYLAMINO)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD04228684
ZINC000002853391
ZINC02853391
ZINC2853391
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.