Vitas-M small molecule compound
N-[(2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2(3H)-ylidene]-2-(5-methoxy-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
Catalog ID
STL425996
SMILES COc1cn(CC(=O)/N=c\2/scc([nH]2)c2ccc3c(c2)OCCCO3)c(cc1=O)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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-13-8-16(25)19(27-2)10-24(13)11-20(26)23-21-22-15(12-30-21)14-4-5-17-18(9-14)29-7-3-6-28-17/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,22,23,26)InChIKey
ROZXTOTYGUSGSF-UHFFFAOYSA-NSynonyms
1630861-56-11630861561
CC1=CC(=O)C(=CN1CC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCCCO4)OC
COc1cn(CC(=O)N=c2scc((nH)2)c2ccc3c(c2)OCCCO3)c(cc1=O)C
InChI=1SC21H21N3O5Sc113816(25)19(272)1024(13)1120(26)23212215(123021)14451718(914)297362817h4581012H36711H212H3(H222326)
MFCD30710306
N((2E)4(34dihydro2H15benzodioxepin7yl)13thiazol2(3H)ylidene)2(5methoxy2methyl4oxopyridin1(4H)yl)acetamide
N(4(34dihydro2H15benzodioxepin7yl)13thiazol2yl)2(5methoxy2methyl4oxopyridin1yl)acetamide
ZINC000218372511
ZINC218372511
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