Vitas-M small molecule compound

ethyl 2-[({2-[(4-ethyl-5-methylthiophen-3-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK438482
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(c2CC)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 C21H27N3O3S3 MW 465.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S3/c1-4-13-12(3)29-11-15(13)18(25)23-24-21(28)22-19-17(20(26)27-5-2)14-9-7-6-8-10-16(14)30-19/h11H,4-10H2,1-3H3,(H,23,25)(H2,22,24,28)
InChIKey
HNJFFCSLYPGACQ-UHFFFAOYSA-N
Synonyms

CCC1=C(SC=C1C(=O)NNC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)C
ethyl2(((2((4ethyl5methylthiophen3yl)carbonyl)hydrazinyl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(((4ethyl5methylthiophene3carbonyl)amino)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC21H27N3O3S3c141312(3)291115(13)18(25)232421(28)221917(20(26)2752)1497681016(14)3019h11H410H213H3(H2325)(H2222428)
MFCD03945401
ZINC000020191672
ZINC20191672

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Available files

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