Vitas-M small molecule compound

methyl [4-({[2-(cyclopropylcarbonyl)hydrazinyl]carbonothioyl}amino)phenyl]acetate

Catalog ID
STK164697
SMILES COC(=O)Cc1ccc(cc1)NC(=S)NNC(=O)C1CC1

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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 C14H17N3O3S MW 307.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O3S/c1-20-12(18)8-9-2-6-11(7-3-9)15-14(21)17-16-13(19)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,16,19)(H2,15,17,21)
InChIKey
MPWVFKSBXKVYRJ-UHFFFAOYSA-N
Synonyms
516458-36-9
2(4((((CYCLOPROPYL(OXO)METHYL)HYDRAZO)SULFANYLIDENEMETHYL)AMINO)PHENYL)ACETICACIDMETHYLESTER
2(4((CYCLOPROPANECARBONYLAMINO)THIOCARBAMOYLAMINO)PHENYL)ACETICACIDMETHYLESTER
516458369
COC(=O)CC1=CC=C(C=C1)NC(=S)NNC(=O)C2CC2
InChI=1SC14H17N3O3Sc12012(18)892611(739)1514(21)171613(19)104510h236710H458H21H3(H1619)(H2151721)
METHYL(4(((2(CYCLOPROPYLCARBONYL)HYDRAZINYL)CARBONOTHIOYL)AMINO)PHENYL)ACETATE
METHYL(4(((2(CYCLOPROPYLCARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)PHENYL)ACETATE
METHYL2(4((((CYCLOPROPYLCARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)PHENYL)ACETATE
METHYL2(4((CYCLOPROPANECARBONYLAMINO)CARBAMOTHIOYLAMINO)PHENYL)ACETATE
METHYL2(4((CYCLOPROPYLCARBONYLAMINO)CARBAMOTHIOYLAMINO)PHENYL)ETHANOATE
methyl2(4(2(cyclopropanecarbonyl)hydrazinecarbothioamido)phenyl)acetate
MFCD03760136
ZINC000013598616
ZINC13598616

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.