Vitas-M small molecule compound
methyl 2-[({2-[(2-fluorophenoxy)acetyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK473918
SMILES COC(=O)c1c(NC(=S)NNC(=O)COc2ccccc2F)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 C20H22FN3O4S2 MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O4S2/c1-27-19(26)17-12-7-3-2-4-10-15(12)30-18(17)22-20(29)24-23-16(25)11-28-14-9-6-5-8-13(14)21/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,23,25)(H2,22,24,29)InChIKey
DKDLCQMAOBRJBW-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)COC3=CC=CC=C3F
InChI=1SC20H22FN3O4S2c12719(26)171273241015(12)3018(17)2220(29)242316(25)112814965813(14)21h5689H2471011H21H3(H2325)(H2222429)
methyl2(((2((2fluorophenoxy)acetyl)hydrazinyl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(((2(2fluorophenoxy)acetyl)amino)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD06059950
ZINC000020220642
ZINC20220642
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