Vitas-M small molecule compound

3-{[(2E)-4-(2-amino-2-oxoethyl)-1,3-thiazol-2(3H)-ylidene]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid

Catalog ID
STL245976
SMILES NC(=O)Cc1cs/c(=N/C(=O)C2C(C2(C)C)C(=O)O)/[nH]1

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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 C12H15N3O4S MW 297.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O4S/c1-12(2)7(8(12)10(18)19)9(17)15-11-14-5(4-20-11)3-6(13)16/h4,7-8H,3H2,1-2H3,(H2,13,16)(H,18,19)(H,14,15,17)
InChIKey
QTNRKRVWUXYMBA-UHFFFAOYSA-N
Synonyms
1324065-33-9
1324065339
3(((2E)4(2amino2oxoethyl)13thiazol2(3H)ylidene)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((4(2amino2oxoethyl)13thiazol2yl)carbamoyl)22dimethylcyclopropane1carboxylicacid
CC1(C(C1C(=O)O)C(=O)NC2=NC(=CS2)CC(=O)N)C
InChI=1SC12H15N3O4Sc112(2)7(8(12)10(18)19)9(17)1511145(42011)36(13)16h478H3H212H3(H21316)(H1819)(H141517)
MFCD24860420
NC(=O)Cc1csc(=NC(=O)C2C(C2(C)C)C(=O)O)(nH)1
ZINC000071285850
ZINC000071285853

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Available files

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