Vitas-M small molecule compound
methyl 2-[({2-[(2,4-dimethylphenoxy)acetyl]hydrazinyl}carbonothioyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK436684
SMILES COC(=O)c1c(NC(=S)NNC(=O)COc2ccc(cc2C)C)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 C20H25N3O4S2 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O4S2/c1-6-14-13(4)29-18(17(14)19(25)26-5)21-20(28)23-22-16(24)10-27-15-8-7-11(2)9-12(15)3/h7-9H,6,10H2,1-5H3,(H,22,24)(H2,21,23,28)InChIKey
VPPXTENGGFEDBI-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)C)C
InChI=1SC20H25N3O4S2c161413(4)2918(17(14)19(25)265)2120(28)232216(24)1027158711(2)912(15)3h79H610H215H3(H2224)(H2212328)
METHYL2((((2(24DIMETHYLPHENOXY)ACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((2((24dimethylphenoxy)acetyl)hydrazinyl)carbonothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2(((2(24DIMETHYLPHENOXY)ACETYL)AMINO)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD03945100
ZINC000017099654
ZINC17099654
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