Vitas-M small molecule compound
methyl 4-ethyl-5-methyl-2-[({2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]thiophene-3-carboxylate
Catalog ID
STK436698
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2oc3c(c2C)cccc3)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 C20H21N3O4S2 MW 431.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S2/c1-5-12-11(3)29-18(15(12)19(25)26-4)21-20(28)23-22-17(24)16-10(2)13-8-6-7-9-14(13)27-16/h6-9H,5H2,1-4H3,(H,22,24)(H2,21,23,28)InChIKey
UCBGPDFKOIYIOZ-UHFFFAOYSA-NSynonyms
588712-96-3588712963
CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C)C
InChI=1SC20H21N3O4S2c151211(3)2918(15(12)19(25)264)2120(28)232217(24)1610(2)13867914(13)2716h69H5H214H3(H2224)(H2212328)
METHYL4ETHYL5METHYL2(((((3METHYLBENZO(D)FURAN2YL)CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
methyl4ethyl5methyl2(((2((3methyl1benzofuran2yl)carbonyl)hydrazinyl)carbonothioyl)amino)thiophene3carboxylate
METHYL4ETHYL5METHYL2(((3METHYL1BENZOFURAN2CARBONYL)AMINO)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03945115
ZINC000017097597
ZINC17097597
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