Vitas-M small molecule compound
N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide
Catalog ID
STL311986
SMILES COCc1n[nH]/c(=N/C(=O)CCc2c(=O)oc3c(c2C)cc2c(c3C)occ2C)/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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-10-8-28-18-12(3)19-15(7-14(10)18)11(2)13(20(26)29-19)5-6-16(25)22-21-24-23-17(30-21)9-27-4/h7-8H,5-6,9H2,1-4H3,(H,22,24,25)InChIKey
NSCIENFZLVYKCD-UHFFFAOYSA-NSynonyms
1574496-01-71574496017
CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC4=NN=C(S4)COC)C)C
COCc1n(nH)c(=NC(=O)CCc2c(=O)oc3c(c2C)cc2c(c3C)occ2C)s1
InChI=1SC21H21N3O5Sc1108281812(3)1915(714(10)18)11(2)13(20(26)2919)5616(25)2221242317(3021)9274h78H569H214H3(H222425)
MFCD28026406
N((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanamide
N(5(methoxymethyl)134thiadiazol2yl)3(359trimethyl7oxofuro(32g)chromen6yl)propanamide
ZINC000095474439
ZINC95474439
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