Vitas-M small molecule compound
6-chloro-N-[(2Z)-5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-7-methyl-4-oxo-4H-chromene-2-carboxamide
Catalog ID
STK594929
SMILES O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)/N=c\1/[nH]nc(s1)SCc1ccccc1F
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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 C20H13ClFN3O3S2 MW 461.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClFN3O3S2/c1-10-6-16-12(7-13(10)21)15(26)8-17(28-16)18(27)23-19-24-25-20(30-19)29-9-11-4-2-3-5-14(11)22/h2-8H,9H2,1H3,(H,23,24,27)InChIKey
DVHOYCJJINJYPO-UHFFFAOYSA-NSynonyms
873080-79-66chloroN((2Z)5((2fluorobenzyl)sulfanyl)134thiadiazol2(3H)ylidene)7methyl4oxo4Hchromene2carboxamide
CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4F)Cl
InChI=1SC20H13ClFN3O3S2c11061612(713(10)21)15(26)817(2816)18(27)2319242520(3019)29911423514(11)22h28H9H21H3(H232427)
MFCD07206540
O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)N=c1(nH)nc(s1)SCc1ccccc1F
ZINC000009332656
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