Vitas-M small molecule compound

tert-butyl 2-(4-chlorophenyl)-4-(diprop-2-en-1-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate

Catalog ID
STK130360
SMILES C=CCN(C(=O)C1CSC(N1C(=O)OC(C)(C)C)c1ccc(cc1)Cl)CC=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 C21H27ClN2O3S MW 422.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN2O3S/c1-6-12-23(13-7-2)18(25)17-14-28-19(15-8-10-16(22)11-9-15)24(17)20(26)27-21(3,4)5/h6-11,17,19H,1-2,12-14H2,3-5H3
InChIKey
HZLYZKBFVRVQSU-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)N1C(CSC1C2=CC=C(C=C2)Cl)C(=O)N(CC=C)CC=C
InChI=1SC21H27ClN2O3Sc161223(1372)18(25)17142819(1581016(22)11915)24(17)20(26)2721(34)5h6111719H121214H235H3
MFCD11851277
TERTBUTYL2(4CHLOROPHENYL)4(DIPROP2EN1YLCARBAMOYL)13THIAZOLIDINE3CARBOXYLATE
tertbutyl4(bis(prop2enyl)carbamoyl)2(4chlorophenyl)13thiazolidine3carboxylate
ZINC000009849946
ZINC000009849951

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.