Vitas-M small molecule compound

2,2-dimethyl-3-{[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}cyclopropanecarboxylic acid

Catalog ID
STL161632
SMILES CC(c1n[nH]/c(=N/C(=O)C2C(C2(C)C)C(=O)O)/s1)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 C12H17N3O3S MW 283.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N3O3S/c1-5(2)9-14-15-11(19-9)13-8(16)6-7(10(17)18)12(6,3)4/h5-7H,1-4H3,(H,17,18)(H,13,15,16)
InChIKey
HSMBIOGIGSJWEI-UHFFFAOYSA-N
Synonyms
1310946-55-4
1310946554
22dimethyl3(((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)carbamoyl)cyclopropanecarboxylicacid
22dimethyl3((5propan2yl134thiadiazol2yl)carbamoyl)cyclopropane1carboxylicacid
CC(C)C1=NN=C(S1)NC(=O)C2C(C2(C)C)C(=O)O
CC(c1n(nH)c(=NC(=O)C2C(C2(C)C)C(=O)O)s1)C
InChI=1SC12H17N3O3Sc15(2)9141511(199)138(16)67(10(17)18)12(63)4h57H14H3(H1718)(H131516)
MFCD20759436
ZINC000071279251
ZINC000071279254

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Available files

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