Vitas-M small molecule compound
6-chloro-7-methyl-4-oxo-N-[(2Z)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Catalog ID
STK584726
SMILES O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)/N=c\1/[nH]nc(s1)SC/C=C/c1ccccc1
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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 C22H16ClN3O3S2 MW 469.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O3S2/c1-13-10-18-15(11-16(13)23)17(27)12-19(29-18)20(28)24-21-25-26-22(31-21)30-9-5-8-14-6-3-2-4-7-14/h2-8,10-12H,9H2,1H3,(H,24,25,28)/b8-5+InChIKey
UOCBMEGQBWSZOG-VMPITWQZSA-NSynonyms
866245-43-46chloro7methyl4oxoN((2Z)5(((2E)3phenylprop2en1yl)sulfanyl)134thiadiazol2(3H)ylidene)4Hchromene2carboxamide
CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4)Cl
InChI=1SC22H16ClN3O3S2c113101815(1116(13)23)17(27)1219(2918)20(28)2421252622(3121)30958146324714h281012H9H21H3(H242528)b85+
MFCD07197879
O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)N=c1(nH)nc(s1)SCC=Cc1ccccc1
ZINC000009329843
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