Vitas-M small molecule compound

3-[({[5-({[(4-methoxyphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STL182041
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)Nc1cccc(c1)C(=O)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 C23H23N5O5S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S/c1-3-11-28-19(13-24-21(30)15-7-9-18(33-2)10-8-15)26-27-23(28)34-14-20(29)25-17-6-4-5-16(12-17)22(31)32/h3-10,12H,1,11,13-14H2,2H3,(H,24,30)(H,25,29)(H,31,32)
InChIKey
TXXRFOCXSUQEHZ-UHFFFAOYSA-N
Synonyms

3((((5((((4methoxyphenyl)carbonyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(((4methoxybenzoyl)amino)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC23H23N5O5Sc13112819(132421(30)157918(332)10815)262723(28)341420(29)251764516(1217)22(31)32h31012H1111314H22H3(H2430)(H2529)(H3132)
MFCD04386097
ZINC000072191560
ZINC72191560

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Available files

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