Vitas-M small molecule compound
methyl 2-({[(5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK464820
SMILES CCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nnc1C1CC1
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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 C21H28N4O3S2 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S2/c1-3-11-25-18(13-9-10-13)23-24-21(25)29-12-16(26)22-19-17(20(27)28-2)14-7-5-4-6-8-15(14)30-19/h13H,3-12H2,1-2H3,(H,22,26)InChIKey
AIQZPWCIFGBHNJ-UHFFFAOYSA-NSynonyms
CCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)C4CC4
InChI=1SC21H28N4O3S2c13112518(1391013)232421(25)291216(26)221917(20(27)282)147546815(14)3019h13H312H212H3(H2226)
methyl2((((5cyclopropyl4propyl4H124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2((5cyclopropyl4propyl124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD06034426
ZINC000019648038
ZINC19648038
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