Vitas-M small molecule compound

2-{[2-(4-tert-butylphenyl)cyclopropyl]carbonyl}-N-(5-chloro-2-methoxyphenyl)hydrazinecarbothioamide

Catalog ID
STK454993
SMILES COc1ccc(cc1NC(=S)NNC(=O)C1CC1c1ccc(cc1)C(C)(C)C)Cl

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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 C22H26ClN3O2S MW 431.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN3O2S/c1-22(2,3)14-7-5-13(6-8-14)16-12-17(16)20(27)25-26-21(29)24-18-11-15(23)9-10-19(18)28-4/h5-11,16-17H,12H2,1-4H3,(H,25,27)(H2,24,26,29)
InChIKey
QMRBZRWZMPNCBA-UHFFFAOYSA-N
Synonyms

(2(4(TERTBUTYL)PHENYL)CYCLOPROPYL)N((((5CHLORO2METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)CARBOXAMIDE
1((2(4TERTBUTYLPHENYL)CYCLOPROPANECARBONYL)AMINO)3(5CHLORO2METHOXYPHENYL)THIOUREA
2(((1R2R)2(4TERTBUTYLPHENYL)CYCLOPROPYL)CARBONYL)N(5CHLORO2METHOXYPHENYL)HYDRAZINECARBOTHIOAMIDE
2(((1R2S)2(4TERTBUTYLPHENYL)CYCLOPROPYL)CARBONYL)N(5CHLORO2METHOXYPHENYL)HYDRAZINECARBOTHIOAMIDE
2((2(4tertbutylphenyl)cyclopropyl)carbonyl)N(5chloro2methoxyphenyl)hydrazinecarbothioamide
CC(C)(C)C1=CC=C(C=C1)C2CC2C(=O)NNC(=S)NC3=C(C=CC(=C3)Cl)OC
InChI=1SC22H26ClN3O2Sc122(23)147513(6814)161217(16)20(27)252621(29)24181115(23)91019(18)284h5111617H12H214H3(H2527)(H2242629)
MFCD04220378
ZINC000002855101
ZINC000012381696

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Available files

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