Vitas-M small molecule compound

propan-2-yl (1-{[(4-tert-butylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate

Catalog ID
STL064560
SMILES CC(OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(cc1)C(C)(C)C)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 C21H29N3O4S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O4S/c1-13(2)28-17(25)12-16-19(27)22-10-11-24(16)20(29)23-18(26)14-6-8-15(9-7-14)21(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H,22,27)(H,23,26,29)
InChIKey
IQXIWVGTBIOKIY-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI=1SC21H29N3O4Sc113(2)2817(25)121619(27)22101124(16)20(29)2318(26)146815(9714)21(34)5h691316H1012H215H3(H2227)(H232629)
MFCD05872253
propan2yl(1(((4tertbutylphenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
PROPAN2YL2(1((4TERTBUTYLBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
ZINC000005977106
ZINC000005977107

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Available files

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