Vitas-M small molecule compound

ethyl 2-[({2-[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate

Catalog ID
STK456691
SMILES CCOC(=O)c1cc(sc1NC(=S)NNC(=O)c1nn(cc1I)C)c1ccccc1

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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 C19H18IN5O3S2 MW 555.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18IN5O3S2/c1-3-28-18(27)12-9-14(11-7-5-4-6-8-11)30-17(12)21-19(29)23-22-16(26)15-13(20)10-25(2)24-15/h4-10H,3H2,1-2H3,(H,22,26)(H2,21,23,29)
InChIKey
GYWJRJZQBILQPV-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=NN(C=C3I)C
ETHYL2(((((4IODO1METHYLPYRAZOL3YL)CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
ethyl2(((2((4iodo1methyl1Hpyrazol3yl)carbonyl)hydrazinyl)carbonothioyl)amino)5phenylthiophene3carboxylate
ETHYL2(((2((4IODO1METHYL1HPYRAZOL3YL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2(((4IODO1METHYLPYRAZOLE3CARBONYL)AMINO)CARBAMOTHIOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H18IN5O3S2c132818(27)12914(117546811)3017(12)2119(29)232216(26)1513(20)1025(2)2415h410H3H212H3(H2226)(H2212329)
MFCD05076300
ZINC000002851846
ZINC2851846

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Available files

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