Vitas-M small molecule compound

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

Catalog ID
STK458803
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)c1ccccn1

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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 C21H27N5O4S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O4S/c1-13(2)30-21(29)17-14(3)18(19(22)28)31-20(17)24-16(27)12-25-8-10-26(11-9-25)15-6-4-5-7-23-15/h4-7,13H,8-12H2,1-3H3,(H2,22,28)(H,24,27)
InChIKey
KHJVIWJOORCTGX-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C(=O)N
InChI=1SC21H27N5O4Sc113(2)3021(29)1714(3)18(19(22)28)3120(17)2416(27)122581026(11925)1564572315h4713H812H213H3(H22228)(H2427)
MFCD05147227
propan2yl5carbamoyl4methyl2(((4(pyridin2yl)piperazin1yl)acetyl)amino)thiophene3carboxylate
propan2yl5carbamoyl4methyl2((2(4pyridin2ylpiperazin1yl)acetyl)amino)thiophene3carboxylate
ZINC000019643752
ZINC19643752

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Available files

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