Vitas-M small molecule compound
3-{[(2Z)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid
Catalog ID
STL246077
SMILES O=C(C1C(C1(C)C)C(=O)O)/N=c\1/[nH]nc(s1)Cc1ccccc1
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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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c1-16(2)11(12(16)14(21)22)13(20)17-15-19-18-10(23-15)8-9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3,(H,21,22)(H,17,19,20)InChIKey
OMLUPAJSCXNDJZ-UHFFFAOYSA-NSynonyms
1324072-23-21324072232
3(((2Z)5benzyl134thiadiazol2(3H)ylidene)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((5benzyl134thiadiazol2yl)carbamoyl)22dimethylcyclopropane1carboxylicacid
CC1(C(C1C(=O)O)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)C
InChI=1SC16H17N3O3Sc116(2)11(12(16)14(21)22)13(20)1715191810(2315)89643579h371112H8H212H3(H2122)(H171920)
MFCD24860451
O=C(C1C(C1(C)C)C(=O)O)N=c1(nH)nc(s1)Cc1ccccc1
ZINC000071286120
ZINC000071286125
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