Vitas-M small molecule compound
3-{[(2Z)-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid
Catalog ID
STL247068
SMILES COc1ccc(cc1)CCc1n[nH]/c(=N/C(=O)C2C(C2(C)C)C(=O)O)/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 C18H21N3O4S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S/c1-18(2)13(14(18)16(23)24)15(22)19-17-21-20-12(26-17)9-6-10-4-7-11(25-3)8-5-10/h4-5,7-8,13-14H,6,9H2,1-3H3,(H,23,24)(H,19,21,22)InChIKey
PONUFCKSIQBZKF-UHFFFAOYSA-NSynonyms
1324082-63-41324082634
3(((2Z)5(2(4methoxyphenyl)ethyl)134thiadiazol2(3H)ylidene)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((5(2(4methoxyphenyl)ethyl)134thiadiazol2yl)carbamoyl)22dimethylcyclopropane1carboxylicacid
CC1(C(C1C(=O)O)C(=O)NC2=NN=C(S2)CCC3=CC=C(C=C3)OC)C
COc1ccc(cc1)CCc1n(nH)c(=NC(=O)C2C(C2(C)C)C(=O)O)s1
InChI=1SC18H21N3O4Sc118(2)13(14(18)16(23)24)15(22)1917212012(2617)96104711(253)8510h45781314H69H213H3(H2324)(H192122)
MFCD24860771
ZINC000071288141
ZINC000071288147
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