Vitas-M small molecule compound

propan-2-yl 5-carbamoyl-2-[(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylacetyl)amino]-4-methylthiophene-3-carboxylate

Catalog ID
STK458763
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN2C(C1)CCC2

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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 C19H28N4O4S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N4O4S/c1-11(2)27-19(26)15-12(3)16(17(20)25)28-18(15)21-14(24)10-22-7-8-23-6-4-5-13(23)9-22/h11,13H,4-10H2,1-3H3,(H2,20,25)(H,21,24)
InChIKey
ZMGDKWZHOSZCMJ-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN3CCCC3C2)C(=O)N
InChI=1SC19H28N4O4Sc111(2)2719(26)1512(3)16(17(20)25)2818(15)2114(24)1022782364513(23)922h1113H410H213H3(H22025)(H2124)
METHYLETHYL2(2(36DIAZABICYCLO(430)NON3YL)ACETYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
MFCD06195016
propan2yl2((2(346788ahexahydro1Hpyrrolo(12a)pyrazin2yl)acetyl)amino)5carbamoyl4methylthiophene3carboxylate
propan2yl5carbamoyl2((hexahydropyrrolo(12a)pyrazin2(1H)ylacetyl)amino)4methylthiophene3carboxylate
ZINC000020295038
ZINC000239439134

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Available files

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