Vitas-M small molecule compound
methyl 2-({(E)-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate
Catalog ID
STL226698
SMILES COC(=O)c1cc(OC)c(cc1N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)C)OC
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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 C19H23N3O7S MW 437.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O7S/c1-11-14(18(23)22(21-11)12-5-6-30(25,26)10-12)9-20-15-8-17(28-3)16(27-2)7-13(15)19(24)29-4/h7-9,12,20H,5-6,10H2,1-4H3/b14-9+InChIKey
NPNMFKACNFKBGU-NTEUORMPSA-NSynonyms
(E)methyl2(((1(11dioxidotetrahydrothiophen3yl)3methyl5oxo1Hpyrazol4(5H)ylidene)methyl)amino)45dimethoxybenzoate
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2C(=O)OC)OC)OC)C3CCS(=O)(=O)C3
COC(=O)c1cc(OC)c(cc1NC=C1C(=NN(C1=O)C1CCS(=O)(=O)C1)C)OC
InChI=1SC19H23N3O7Sc11114(18(23)22(2111)125630(2526)1012)92015817(283)16(272)713(15)19(24)294h791220H5610H214H3b149+
methyl2(((E)(1(11dioxidotetrahydrothiophen3yl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)45dimethoxybenzoate
methyl2(((E)(1(11dioxothiolan3yl)3methyl5oxopyrazol4ylidene)methyl)amino)45dimethoxybenzoate
MFCD09848837
ZINC000101489248
ZINC000101489252
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