Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-4-methyl-2-({[4-(4-nitrophenyl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK458776
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
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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 C22H27N5O6S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O6S/c1-13(2)33-22(30)18-14(3)19(20(23)29)34-21(18)24-17(28)12-25-8-10-26(11-9-25)15-4-6-16(7-5-15)27(31)32/h4-7,13H,8-12H2,1-3H3,(H2,23,29)(H,24,28)InChIKey
SKSLVDJHPFCVJE-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N
InChI=1SC22H27N5O6Sc113(2)3322(30)1814(3)19(20(23)29)3421(18)2417(28)122581026(11925)154616(7515)27(31)32h4713H812H213H3(H22329)(H2428)
METHYLETHYL5CARBAMOYL4METHYL2(2(4(4NITROPHENYL)PIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD05070651
O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
propan2yl5carbamoyl4methyl2(((4(4nitrophenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
propan2yl5carbamoyl4methyl2((2(4(4nitrophenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
ZINC000096288449
ZINC96288449
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