Vitas-M small molecule compound

methyl 2-[({4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}carbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK472729
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)S(=O)(=O)c2cc(C)ccc2C)sc2c1CCCCCC2

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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 C25H33N3O4S3 MW 535.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O4S3/c1-17-10-11-18(2)21(16-17)35(30,31)28-14-12-27(13-15-28)25(33)26-23-22(24(29)32-3)19-8-6-4-5-7-9-20(19)34-23/h10-11,16H,4-9,12-15H2,1-3H3,(H,26,33)
InChIKey
IODIWYGHKKDCDR-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCCCCC4)C(=O)OC
InChI=1SC25H33N3O4S3c117101118(2)21(1617)35(3031)28141227(131528)25(33)262322(24(29)323)1986457920(19)3423h101116H491215H213H3(H2633)
methyl2(((4((25dimethylphenyl)sulfonyl)piperazin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4(25dimethylphenyl)sulfonylpiperazine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD07080080
ZINC000097945730
ZINC97945730

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Available files

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