Vitas-M small molecule compound
methyl 2-[({2-[(4-tert-butylphenyl)sulfonyl]hydrazinyl}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK439902
SMILES COC(=O)c1c(NC(=S)NNS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc2c1CCCC2
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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 C21H27N3O4S3 MW 481.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S3/c1-21(2,3)13-9-11-14(12-10-13)31(26,27)24-23-20(29)22-18-17(19(25)28-4)15-7-5-6-8-16(15)30-18/h9-12,24H,5-8H2,1-4H3,(H2,22,23,29)InChIKey
JRLLTMTUFAHJFS-UHFFFAOYSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC21H27N3O4S3c121(23)1391114(121013)31(2627)242320(29)221817(19(25)284)15756816(15)3018h91224H58H214H3(H2222329)
methyl2(((2((4tertbutylphenyl)sulfonyl)hydrazinyl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((4tertbutylphenyl)sulfonylamino)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03946082
ZINC000020468239
ZINC20468239
Check stock
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Check stock on Vitas-MAvailable files
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