Vitas-M small molecule compound
N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL052623
SMILES O=C(/N=c\1/sc2c([nH]1)cccc2)CSc1nnc(n1c1ccccc1)c1cccnc1
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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 C22H16N6OS2 MW 444.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N6OS2/c29-19(25-21-24-17-10-4-5-11-18(17)31-21)14-30-22-27-26-20(15-7-6-12-23-13-15)28(22)16-8-2-1-3-9-16/h1-13H,14H2,(H,24,25,29)InChIKey
DTTNWGHERVAOLY-UHFFFAOYSA-NSynonyms
714254-17-8714254178
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CN=CC=C5
InChI=1SC22H16N6OS2c2919(2521241710451118(17)3121)143022272620(157612231315)28(22)168213916h113H14H2(H242529)
MFCD05731782
N((2E)13benzothiazol2(3H)ylidene)2((4phenyl5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(13BENZOTHIAZOL2YL)2((4PHENYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(N=c1sc2c((nH)1)cccc2)CSc1nnc(n1c1ccccc1)c1cccnc1
ZINC000009147020
ZINC09147020
ZINC9147020
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