Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STL156462
SMILES O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)/N=c\1/[nH]nc(s1)C(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 C24H24N4O4S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S/c1-24(2,3)22-26-27-23(33-22)25-20(29)18-14-7-5-6-8-15(14)21(30)28(4)19(18)13-9-10-16-17(11-13)32-12-31-16/h5-11,18-19H,12H2,1-4H3,(H,25,27,29)InChIKey
CERJSFNETVZXLR-UHFFFAOYSA-NSynonyms
1246055-56-01246055560
3(13benzodioxol5yl)N((2Z)5tertbutyl134thiadiazol2(3H)ylidene)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
3(13benzodioxol5yl)N(5tertbutyl134thiadiazol2yl)2methyl1oxo34dihydroisoquinoline4carboxamide
CC(C)(C)C1=NN=C(S1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC5=C(C=C4)OCO5
InChI=1SC24H24N4O4Sc124(23)22262723(3322)2520(29)1814756815(14)21(30)28(4)19(18)139101617(1113)32123116h5111819H12H214H3(H252729)
MFCD20757684
O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)N=c1(nH)nc(s1)C(C)(C)C
ZINC000049545790
ZINC000049545796
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