Vitas-M small molecule compound

7-(propan-2-ylidene)-3-[(thiophen-2-ylmethyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK479112
SMILES O=C(C1C2CCC(C1C(=O)O)C2=C(C)C)NCc1cccs1

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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 C17H21NO3S MW 319.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO3S/c1-9(2)13-11-5-6-12(13)15(17(20)21)14(11)16(19)18-8-10-4-3-7-22-10/h3-4,7,11-12,14-15H,5-6,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
OBPHHSJTTNHASM-UHFFFAOYSA-N
Synonyms

7(METHYLETHYLIDENE)3(N(2THIENYLMETHYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
7(propan2ylidene)3((thiophen2ylmethyl)carbamoyl)bicyclo(221)heptane2carboxylicacid
7PROPAN2YLIDENE2(THIOPHEN2YLMETHYLCARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
CC(=C1C2CCC1C(C2C(=O)NCC3=CC=CS3)C(=O)O)C
InChI=1SC17H21NO3Sc19(2)13115612(13)15(17(20)21)14(11)16(19)188104372210h34711121415H568H212H3(H1819)(H2021)
MFCD06066366
ZINC000101448134
ZINC000229857198

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Available files

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