Vitas-M small molecule compound
N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamide
Catalog ID
STK930813
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)/N=c\1/[nH]nc(s1)C(C)C
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-9(2)19-23-24-21(29-19)22-16(25)7-15-11(4)14-6-13-10(3)8-27-17(13)12(5)18(14)28-20(15)26/h6,8-9H,7H2,1-5H3,(H,22,24,25)InChIKey
IRLQNCCRFBKYKU-UHFFFAOYSA-NSynonyms
1219550-24-91219550249
CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC4=NN=C(S4)C(C)C)C)C
InChI=1SC21H21N3O4Sc19(2)19232421(2919)2216(25)71511(4)1461310(3)82717(13)12(5)18(14)2820(15)26h689H7H215H3(H222425)
MFCD18176758
N((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)2(359trimethyl7oxo7Hfuro(32g)chromen6yl)acetamide
N(5propan2yl134thiadiazol2yl)2(359trimethyl7oxofuro(32g)chromen6yl)acetamide
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)N=c1(nH)nc(s1)C(C)C
ZINC000040284506
ZINC40284506
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