Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK938147
SMILES COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)/N=c\1/[nH]nc(s1)C)cccc2
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-12-23-24-21(29-12)22-19(26)17-15-6-4-5-7-16(15)20(27)25(2)18(17)13-8-10-14(28-3)11-9-13/h4-11,17-18H,1-3H3,(H,22,24,26)InChIKey
OLNYFBWQNDSHJB-UHFFFAOYSA-NSynonyms
1190272-90-21190272902
3(4methoxyphenyl)2methylN((2Z)5methyl134thiadiazol2(3H)ylidene)1oxo1234tetrahydroisoquinoline4carboxamide
3(4methoxyphenyl)2methylN(5methyl134thiadiazol2yl)1oxo34dihydroisoquinoline4carboxamide
CC1=NN=C(S1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC
COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)N=c1(nH)nc(s1)C)cccc2
InChI=1SC21H20N4O3Sc112232421(2912)2219(26)1715645716(15)20(27)25(2)18(17)1381014(283)11913h4111718H13H3(H222426)
MFCD18178880
ZINC000036352605
ZINC000036352610
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