Vitas-M small molecule compound
ethyl 2-[({2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK438487
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCC(C3)C)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 C23H29N3O3S3 MW 491.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O3S3/c1-3-29-22(28)19-15-7-5-4-6-8-17(15)32-21(19)24-23(30)26-25-20(27)16-12-31-18-11-13(2)9-10-14(16)18/h12-13H,3-11H2,1-2H3,(H,25,27)(H2,24,26,30)InChIKey
JZYMLFGZTSDBSH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C3=CSC4=C3CCC(C4)C
ethyl2(((2((6methyl4567tetrahydro1benzothiophen3yl)carbonyl)hydrazinyl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(((6methyl4567tetrahydro1benzothiophene3carbonyl)amino)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC23H29N3O3S3c132922(28)19157546817(15)3221(19)2423(30)262520(27)161231181113(2)91014(16)18h1213H311H212H3(H2527)(H2242630)
MFCD03945407
ZINC000020168496
ZINC000020168498
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