Vitas-M small molecule compound

methyl 2-[({2-[(4-bromophenyl)acetyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK456201
SMILES COC(=O)c1c(NC(=S)NNC(=O)Cc2ccc(cc2)Br)sc2c1CCCCC2

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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 C20H22BrN3O3S2 MW 496.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN3O3S2/c1-27-19(26)17-14-5-3-2-4-6-15(14)29-18(17)22-20(28)24-23-16(25)11-12-7-9-13(21)10-8-12/h7-10H,2-6,11H2,1H3,(H,23,25)(H2,22,24,28)
InChIKey
BBQVTVKQJGVNBD-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)CC3=CC=C(C=C3)Br
InChI=1SC20H22BrN3O3S2c12719(26)17145324615(14)2918(17)2220(28)242316(25)11127913(21)10812h710H2611H21H3(H2325)(H2222428)
methyl2(((2((4bromophenyl)acetyl)hydrazinyl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(((2(4bromophenyl)acetyl)amino)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD05081699
ZINC000002857010
ZINC02857010
ZINC2857010

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Available files

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