Vitas-M small molecule compound

4-[(E)-[2-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene](hydroxy)methyl]-N,N-dimethylbenzenesulfonamide

Catalog ID
STL041293
SMILES COCCCN1C(c2ccc(c(c2)OCC)O)/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\O)/C(=O)C1=O

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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 C25H30N2O8S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O8S/c1-5-35-20-15-17(9-12-19(20)28)22-21(24(30)25(31)27(22)13-6-14-34-4)23(29)16-7-10-18(11-8-16)36(32,33)26(2)3/h7-12,15,22,28-29H,5-6,13-14H2,1-4H3/b23-21+
InChIKey
RCGJDAPAUIZFSM-XTQSDGFTSA-N
Synonyms
893702-44-8
4((E)(2(3ethoxy4hydroxyphenyl)1(3methoxypropyl)45dioxopyrrolidin3ylidene)(hydroxy)methyl)NNdimethylbenzenesulfonamide
4((E)(2(3ETHOXY4HYDROXYPHENYL)1(3METHOXYPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)NNDIMETHYLBENZENESULFONAMIDE
893702448
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)S(=O)(=O)N(C)C)O)C(=O)C(=O)N2CCCOC)O
COCCCN1C(c2ccc(c(c2)OCC)O)C(=C(c2ccc(cc2)S(=O)(=O)N(C)C)O)C(=O)C1=O
InChI=1SC25H30N2O8Sc1535201517(91219(20)28)2221(24(30)25(31)27(22)13614344)23(29)1671018(11816)36(3233)26(2)3h71215222829H561314H214H3b2321+
MFCD07208798
ZINC000102867790
ZINC000102867794

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Available files

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