Vitas-M small molecule compound

methyl 5-carbamoyl-4-methyl-2-{[(4-phenylpiperazin-1-yl)acetyl]amino}thiophene-3-carboxylate

Catalog ID
STK469337
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)c2ccccc2)sc(c1C)C(=O)N

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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 C20H24N4O4S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O4S/c1-13-16(20(27)28-2)19(29-17(13)18(21)26)22-15(25)12-23-8-10-24(11-9-23)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H2,21,26)(H,22,25)
InChIKey
XIVLBYADNWZMAM-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)N
InChI=1SC20H24N4O4Sc11316(20(27)282)19(2917(13)18(21)26)2215(25)122381024(11923)146435714h37H812H212H3(H22126)(H2225)
methyl5carbamoyl4methyl2(((4phenylpiperazin1yl)acetyl)amino)thiophene3carboxylate
methyl5carbamoyl4methyl2((2(4phenylpiperazin1yl)acetyl)amino)thiophene3carboxylate
METHYL5CARBAMOYL4METHYL2(2(4PHENYLPIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD06050059
ZINC000017090703
ZINC17090703

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Available files

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