Vitas-M small molecule compound
6-chloro-7-methyl-N-[(2Z)-5-[(3-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Catalog ID
STK581515
SMILES Cc1cccc(c1)CSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)/s1
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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 C21H16ClN3O3S2 MW 457.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O3S2/c1-11-4-3-5-13(6-11)10-29-21-25-24-20(30-21)23-19(27)18-9-16(26)14-8-15(22)12(2)7-17(14)28-18/h3-9H,10H2,1-2H3,(H,23,24,27)InChIKey
NADCOKQRHXEIRX-UHFFFAOYSA-NSynonyms
873080-89-86chloro7methylN((2Z)5((3methylbenzyl)sulfanyl)134thiadiazol2(3H)ylidene)4oxo4Hchromene2carboxamide
CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=O)C4=CC(=C(C=C4O3)C)Cl
Cc1cccc(c1)CSc1n(nH)c(=NC(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)s1
InChI=1SC21H16ClN3O3S2c11143513(611)102921252420(3021)2319(27)18916(26)14815(22)12(2)717(14)2818h39H10H212H3(H232427)
MFCD07203263
ZINC000016977454
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