Vitas-M small molecule compound
methyl 2-{[(2-{[(2-chloro-4-fluorobenzyl)sulfanyl]acetyl}hydrazinyl)carbonothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK445703
SMILES COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(cc2Cl)F)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 C21H23ClFN3O3S3 MW 516.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClFN3O3S3/c1-29-20(28)18-14-5-3-2-4-6-16(14)32-19(18)24-21(30)26-25-17(27)11-31-10-12-7-8-13(23)9-15(12)22/h7-9H,2-6,10-11H2,1H3,(H,25,27)(H2,24,26,30)InChIKey
GVRIWNYMVOEHIL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC21H23ClFN3O3S3c12920(28)18145324616(14)3219(18)2421(30)262517(27)113110127813(23)915(12)22h79H261011H21H3(H2527)(H2242630)
methyl2(((2(((2chloro4fluorobenzyl)sulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(((2((2chloro4fluorophenyl)methylsulfanyl)acetyl)amino)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04057940
ZINC000020220652
ZINC20220652
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