Vitas-M small molecule compound
2-phenylethyl 4-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}-4-oxobutanoate
Catalog ID
STL064993
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=S)NC(=O)CCC(=O)OCCc1ccccc1
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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 C20H21N3O6S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6S/c1-28-15-7-8-16(17(13-15)23(26)27)21-20(30)22-18(24)9-10-19(25)29-12-11-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,21,22,24,30)InChIKey
UHBFKPXLVKWXFK-UHFFFAOYSA-NSynonyms
2phenylethyl4(((4methoxy2nitrophenyl)carbamothioyl)amino)4oxobutanoate
2phenylethyl4((4methoxy2nitrophenyl)carbamothioylamino)4oxobutanoate
COC1=CC(=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=S)NC(=O)CCC(=O)OCCc1ccccc1
InChI=1SC20H21N3O6Sc128157816(17(1315)23(26)27)2120(30)2218(24)91019(25)291211145324614h2813H912H21H3(H221222430)
MFCD05880273
PHENETHYL4((4METHOXY2NITROPHENYL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
ZINC000012137264
ZINC12137264
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