Vitas-M small molecule compound
methyl 2-[({[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK473735
SMILES C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nnc1c1ccccn1
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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 C23H25N5O3S2 MW 483.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S2/c1-3-13-28-20(16-10-7-8-12-24-16)26-27-23(28)32-14-18(29)25-21-19(22(30)31-2)15-9-5-4-6-11-17(15)33-21/h3,7-8,10,12H,1,4-6,9,11,13-14H2,2H3,(H,25,29)InChIKey
KJCNTLZDQFFXDC-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=N4
InChI=1SC23H25N5O3S2c13132820(161078122416)262723(28)321418(29)252119(22(30)312)1595461117(15)3321h3781012H1469111314H22H3(H2529)
methyl2((((4(prop2en1yl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2((4prop2enyl5pyridin2yl124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD06139724
ZINC000020220624
ZINC20220624
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