Vitas-M small molecule compound
methyl 5-carbamoyl-4-methyl-2-({[4-(4-methylbenzyl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK462635
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)Cc2ccc(cc2)C)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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-14-4-6-16(7-5-14)12-25-8-10-26(11-9-25)13-17(27)24-21-18(22(29)30-3)15(2)19(31-21)20(23)28/h4-7H,8-13H2,1-3H3,(H2,23,28)(H,24,27)InChIKey
JKBITWSUHVWXOO-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC
InChI=1SC22H28N4O4Sc1144616(7514)122581026(11925)1317(27)242118(22(29)303)15(2)19(3121)20(23)28h47H813H213H3(H22328)(H2427)
methyl5carbamoyl4methyl2(((4(4methylbenzyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
methyl5carbamoyl4methyl2((2(4((4methylphenyl)methyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
METHYL5CARBAMOYL4METHYL2(2(4((4METHYLPHENYL)METHYL)PIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD06163306
ZINC000019641410
ZINC19641410
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