Vitas-M small molecule compound
2-[({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STK230277
SMILES C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1COc1ccccc1C
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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 C22H21N5O2S MW 419.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2S/c1-3-12-27-20(13-29-18-11-7-4-8-15(18)2)25-26-22(27)30-14-19-23-17-10-6-5-9-16(17)21(28)24-19/h3-11H,1,12-14H2,2H3,(H,23,24,28)InChIKey
CMFYIMRVTZSJRV-UHFFFAOYSA-NSynonyms
2(((5((2METHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(3H)ONE
2(((5((2METHYLPHENOXY)METHYL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)METHYL)QUINAZOLIN4(1H)ONE
2((5((2METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
C=CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1COc1ccccc1C
CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3
InChI=1SC22H21N5O2Sc13122720(1329181174815(18)2)252622(27)30141923171065916(17)21(28)2419h311H11214H22H3(H232428)
MFCD07789638
ZINC000004735912
ZINC04735912
ZINC4735912
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