Vitas-M small molecule compound

3-phenylpropyl 5-{[(2-hydroxy-4-nitrophenyl)carbamothioyl]amino}-5-oxopentanoate

Catalog ID
STL065273
SMILES O=C(NC(=S)Nc1ccc(cc1O)[N+](=O)[O-])CCCC(=O)OCCCc1ccccc1

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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 C21H23N3O6S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6S/c25-18-14-16(24(28)29)11-12-17(18)22-21(31)23-19(26)9-4-10-20(27)30-13-5-8-15-6-2-1-3-7-15/h1-3,6-7,11-12,14,25H,4-5,8-10,13H2,(H2,22,23,26,31)
InChIKey
GRWGSWVLTXSHAV-UHFFFAOYSA-N
Synonyms

3phenylpropyl5(((2hydroxy4nitrophenyl)carbamothioyl)amino)5oxopentanoate
3PHENYLPROPYL5((2HYDROXY4NITROPHENYL)CARBAMOTHIOYLAMINO)5OXOPENTANOATE
C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))O
InChI=1SC21H23N3O6Sc25181416(24(28)29)111217(18)2221(31)2319(26)941020(27)301358156213715h136711121425H4581013H2(H222232631)
MFCD07083637
O=C(NC(=S)Nc1ccc(cc1O)(N+)(=O)(O))CCCC(=O)OCCCc1ccccc1
ZINC000012137374
ZINC12137374

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Available files

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