Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-4-methyl-2-({[4-(2-methylphenyl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK459246
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)c1ccccc1C
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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 C23H30N4O4S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O4S/c1-14(2)31-23(30)19-16(4)20(21(24)29)32-22(19)25-18(28)13-26-9-11-27(12-10-26)17-8-6-5-7-15(17)3/h5-8,14H,9-13H2,1-4H3,(H2,24,29)(H,25,28)InChIKey
NLABGKOEHXMHSU-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC(C)C
InChI=1SC23H30N4O4Sc114(2)3123(30)1916(4)20(21(24)29)3222(19)2518(28)132691127(121026)17865715(17)3h5814H913H214H3(H22429)(H2528)
METHYLETHYL5CARBAMOYL4METHYL2(2(4(2METHYLPHENYL)PIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD05124357
propan2yl5carbamoyl4methyl2(((4(2methylphenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
propan2yl5carbamoyl4methyl2((2(4(2methylphenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
ZINC000020418736
ZINC20418736
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